 21 
Comment
S              0.93847      -1.65611      -0.74207 
C              2.16065      -0.782         0.32718 
C              2.29723       0.72462       0.06064 
S              0.9218        1.79289       0.66141 
C             -0.2798        1.81206      -0.76037 
C             -1.72631       1.53867      -0.31437 
S             -2.31085      -0.20663      -0.32472 
C             -1.29776      -1.03185       0.9733 
C             -0.38115      -2.1402        0.43663 
H              3.13882      -1.26125       0.14413 
H              1.89816      -0.96537       1.38104 
H              3.18428       1.10014       0.60087 
H              2.46979       0.92418      -1.00905 
H             -0.22524       2.81515      -1.21665 
H              0.04445       1.06882      -1.5023 
H             -2.416         2.02355      -1.02702 
H             -1.92886       1.98741       0.67237 
H             -1.99911      -1.48366       1.69705 
H             -0.71891      -0.25955       1.501 
H             -0.97141      -2.88225      -0.12587 
H              0.08296      -2.67747       1.28327 
 21 
Comment
S              0.97547      -1.65611      -0.68674 
C              2.14057      -0.782         0.43981 
C              2.2909        0.72462       0.18079 
S              0.88538       1.79289       0.71394 
C             -0.23962       1.81206      -0.77397 
C             -1.70749       1.53867      -0.40428 
S             -2.29123      -0.20663      -0.44003 
C             -1.34692      -1.03185       0.90405 
C             -0.40348      -2.1402        0.41608 
H              3.12697      -1.26125       0.3082 
H              1.82328      -0.96537       1.47849 
H              3.14847       1.10014       0.7667 
H              2.51921       0.92418      -0.87841 
H             -0.16126       2.81515      -1.22677 
H              0.12301       1.06882      -1.49792 
H             -2.35894       2.02355      -1.15206 
H             -1.96141       1.98741       0.5705 
H             -2.08518      -1.48366       1.5901 
H             -0.79648      -0.25955       1.46132 
H             -0.96349      -2.88225      -0.17654 
H              0.01569      -2.67747       1.28586 
 21 
Comment
S              1.00926      -1.65611      -0.62962 
C              2.11462      -0.782         0.55124 
C              2.2783        0.72462       0.30043 
S              0.84599       1.79289       0.76442 
C             -0.19879       1.81206      -0.78545 
C             -1.68399       1.53867      -0.49309 
S             -2.26587      -0.20663      -0.55421 
C             -1.39239      -1.03185       0.83232 
C             -0.42471      -2.1402        0.39439 
H              3.10656      -1.26125       0.47144 
H              1.7434       -0.96537       1.57189 
H              3.10403       1.10014       0.93043 
H              2.56173       0.92418      -0.74536 
H             -0.09683       2.81515      -1.23353 
H              0.20124       1.06882      -1.48943 
H             -2.29541       2.02355      -1.27394 
H             -1.98858       1.98741       0.46707 
H             -2.16554      -1.48366       1.47879 
H             -0.87187      -0.25955       1.41763 
H             -0.95293      -2.88225      -0.22672 
H             -0.05163      -2.67747       1.28491 
 21 
Comment
S              1.03976      -1.65611      -0.5709 
C              2.08287      -0.782         0.66115 
C              2.25946       0.72462       0.41926 
S              0.80375       1.79289       0.81269 
C             -0.15741       1.81206      -0.79478 
C             -1.65588       1.53867      -0.58055 
S             -2.23483      -0.20663      -0.667 
C             -1.43404      -1.03185       0.75831 
C             -0.44477      -2.1402        0.37162 
H              3.07762      -1.26125       0.63337 
H              1.65875      -0.96537       1.66098 
H              3.05108       1.10014       1.0916 
H              2.59723       0.92418      -0.61027 
H             -0.03214       2.81515      -1.2369 
H              0.27892       1.06882      -1.47686 
H             -2.22559       2.02355      -1.39232 
H             -2.0103        1.98741       0.36235 
H             -2.23997      -1.48366       1.36343 
H             -0.94487      -0.25955       1.37006 
H             -0.93976      -2.88225      -0.27629 
H             -0.1188       -2.67747       1.28045 
 21 
Comment
S              1.0669       -1.65611      -0.51079 
C              2.04541      -0.782         0.76925 
C              2.23442       0.72462       0.53694 
S              0.7588        1.79289       0.85856 
C             -0.1156        1.81206      -0.80193 
C             -1.62322       1.53867      -0.66642 
S             -2.19818      -0.20663      -0.77813 
C             -1.47176      -1.03185       0.68222 
C             -0.46361      -2.1402        0.34784 
H              3.04026      -1.26125       0.79358 
H              1.56954      -0.96537       1.74551 
H              2.98977       1.10014       1.24979 
H              2.62561       0.92418      -0.47351 
H              0.03264       2.81515      -1.23689 
H              0.35583       1.06882      -1.46023 
H             -2.14967       2.02355      -1.5069 
H             -2.02651       1.98741       0.25664 
H             -2.30826      -1.48366       1.24433 
H             -1.01528      -0.25955       1.31873 
H             -0.92401      -2.88225      -0.32509 
H             -0.18566      -2.67747       1.27248 
 21 
Comment
S              1.09062      -1.65611      -0.44948 
C              2.00235      -0.782         0.87525 
C              2.20326       0.72462       0.65314 
S              0.71128       1.79289       0.90187 
C             -0.07347       1.81206      -0.80688 
C             -1.58612       1.53867      -0.75046 
S             -2.15599      -0.20663      -0.88734 
C             -1.50545      -1.03185       0.60426 
C             -0.48117      -2.1402        0.3231 
H              2.99456      -1.26125       0.9516 
H              1.47604      -0.96537       1.82527 
H              2.92026       1.10014       1.40455 
H              2.64679       0.92418      -0.33544 
H              0.09733       2.81515      -1.23349 
H              0.43176       1.06882      -1.43961 
H             -2.06786       2.02355      -1.61734 
H             -2.03716       1.98741       0.15023 
H             -2.37022      -1.48366       1.12182 
H             -1.0829       -0.25955       1.26379 
H             -0.90573      -2.88225      -0.373 
H             -0.252        -2.67747       1.26102 
 21 
Comment
S              1.11088      -1.65611      -0.38717 
C              1.9538       -0.782         0.97884 
C              2.16605       0.72462       0.76755 
S              0.66133       1.79289       0.94246 
C             -0.03114       1.81206      -0.80962 
C             -1.54467       1.53867      -0.83244 
S             -2.10837      -0.20663      -0.99435 
C             -1.53501      -1.03185       0.52464 
C             -0.49742      -2.1402        0.29747 
H              2.94065      -1.26125       1.10702 
H              1.37849      -0.96537       1.90001 
H              2.84275       1.10014       1.55546 
H              2.66072       0.92418      -0.19646 
H              0.16175       2.81515      -1.2267 
H              0.50651       1.06882      -1.41504 
H             -1.98038       2.02355      -1.72334 
H             -2.04223       1.98741       0.04341 
H             -2.42568      -1.48366       0.99623 
H             -1.14756      -0.25955       1.20538 
H             -0.88497      -2.88225      -0.41989 
H             -0.31765      -2.67747       1.2461 
 21 
Comment
S              1.12765      -1.65611      -0.32409 
C              1.89989      -0.782         1.07976 
C              2.12291       0.72462       0.87987 
S              0.60913       1.79289       0.9802 
C              0.01128       1.81206      -0.81014 
C             -1.49899       1.53867      -0.91214 
S             -2.05541      -0.20663      -1.09891 
C             -1.56036      -1.03185       0.44358 
C             -0.51231      -2.1402        0.27103 
H              2.87869      -1.26125       1.25941 
H              1.27716      -0.96537       1.96955 
H              2.75745       1.10014       1.7021 
H              2.66736       0.92418      -0.05694 
H              0.22573       2.81515      -1.21656 
H              0.57988       1.06882      -1.38659 
H             -1.88748       2.02355      -1.82463 
H             -2.0417        1.98741      -0.06353 
H             -2.47449      -1.48366       0.86791 
H             -1.20907      -0.25955       1.14367 
H             -0.86178      -2.88225      -0.46563 
H             -0.38243      -2.67747       1.22777 
 21 
Comment
S              1.14092      -1.65611      -0.26041 
C              1.84078      -0.782         1.17771 
C              2.07396       0.72462       0.98976 
S              0.55485       1.79289       1.01495 
C              0.05366       1.81206      -0.80844 
C             -1.4492        1.53867      -0.98934 
S             -1.99722      -0.20663      -1.20077 
C             -1.58144      -1.03185       0.36131 
C             -0.52579      -2.1402        0.24385 
H              2.80883      -1.26125       1.40834 
H              1.17233      -0.96537       2.0337 
H              2.66459       1.10014       1.84409 
H              2.66668       0.92418       0.08274 
H              0.28909       2.81515      -1.20308 
H              0.65165       1.06882      -1.35434 
H             -1.7894        2.02355      -1.92091 
H             -2.03558       1.98741      -0.1703 
H             -2.51653      -1.48366       0.73722 
H             -1.26727      -0.25955       1.07882 
H             -0.83623      -2.88225      -0.5101 
H             -0.44616      -2.67747       1.20607 
 21 
Comment
S              1.15069      -1.65611      -0.19636 
C              1.77662      -0.782         1.27243 
C              2.01931       0.72462       1.09695 
S              0.49868       1.79289       1.04658 
C              0.0959        1.81206      -0.80452 
C             -1.39543       1.53867      -1.06383 
S             -1.93394      -0.20663      -1.29966 
C             -1.59818      -1.03185       0.27805 
C             -0.53784      -2.1402        0.216 
H              2.73127      -1.26125       1.55341 
H              1.06429      -0.96537       2.09227 
H              2.56442       1.10014       1.98101 
H              2.6587        0.92418       0.22219 
H              0.35166       2.81515      -1.1863 
H              0.72164       1.06882      -1.31838 
H             -1.68641       2.02355      -2.01193 
H             -2.02388       1.98741      -0.2766 
H             -2.55166      -1.48366       0.60451 
H             -1.322        -0.25955       1.01102 
H             -0.80838      -2.88225      -0.55316 
H             -0.50867      -2.67747       1.18107 
 21 
Comment
S              1.15696      -1.65611      -0.13213 
C              1.70759      -0.782         1.36367 
C              1.95914       0.72462       1.20113 
S              0.44079       1.79289       1.07499 
C              0.13787       1.81206      -0.7984 
C             -1.33784       1.53867      -1.1354 
S             -1.8657       -0.20663      -1.39535 
C             -1.61054      -1.03185       0.19403 
C             -0.5484       -2.1402        0.18755 
H              2.64623      -1.26125       1.69423 
H              0.95333      -0.96537       2.1451 
H              2.45723       1.10014       2.11251 
H              2.64343       0.92418       0.36103 
H              0.41326       2.81515      -1.16627 
H              0.78965       1.06882      -1.27881 
H             -1.5788        2.02355      -2.09743 
H             -2.00663       1.98741      -0.38214 
H             -2.5798       -1.48366       0.47013 
H             -1.3731       -0.25955       0.94045 
H             -0.77833      -2.88225      -0.59471 
H             -0.56979      -2.67747       1.15283 
 21 
Comment
S              1.15975      -1.65611      -0.0679 
C              1.63388      -0.782         1.45117 
C              1.89359       0.72462       1.30202 
S              0.38139       1.79289       1.10007 
C              0.17947       1.81206      -0.79009 
C             -1.27659       1.53867      -1.20387 
S             -1.79266      -0.20663      -1.48759 
C             -1.61849      -1.03185       0.10947 
C             -0.55747      -2.1402        0.15859 
H              2.55393      -1.26125       1.8304 
H              0.83976      -0.96537       2.19205 
H              2.3433        1.10014       2.23821 
H              2.62091       0.92418       0.49888 
H              0.47373       2.81515      -1.14304 
H              0.85549       1.06882      -1.23573 
H             -1.46687       2.02355      -2.17718 
H             -1.98388       1.98741      -0.48664 
H             -2.60087      -1.48366       0.33447 
H             -1.42043      -0.25955       0.8673 
H             -0.74613      -2.88225      -0.63463 
H             -0.62934      -2.67747       1.12143 
 21 
Comment
S              1.1591       -1.65611      -0.00389 
C              1.55569      -0.782         1.53469 
C              1.82285       0.72462       1.39934 
S              0.32068       1.79289       1.12176 
C              0.22057       1.81206      -0.77962 
C             -1.21183       1.53867      -1.26903 
S             -1.71496      -0.20663      -1.57615 
C             -1.622        -1.03185       0.02462 
C             -0.565        -2.1402        0.1292 
H              2.45464      -1.26125       1.96155 
H              0.72389      -0.96537       2.233 
H              2.22295       1.10014       2.35779 
H              2.59121       0.92418       0.63536 
H              0.5329        2.81515      -1.11668 
H              0.91899       1.06882      -1.18926 
H             -1.35091       2.02355      -2.25097 
H             -1.95569       1.98741      -0.5898 
H             -2.61481      -1.48366       0.1979 
H             -1.46388      -0.25955       0.79177 
H             -0.7119       -2.88225      -0.67281 
H             -0.68717      -2.67747       1.08695 
 21 
Comment
S              1.15505      -1.65611       0.05974 
C              1.47324      -0.782         1.61401 
C              1.74712       0.72462       1.49282 
S              0.25887       1.79289       1.13996 
C              0.26107       1.81206      -0.767 
C             -1.14376       1.53867      -1.33071 
S             -1.63278      -0.20663      -1.66078 
C             -1.62107      -1.03185      -0.06031 
C             -0.57099      -2.1402        0.09945 
H              2.34861      -1.26125       2.08733 
H              0.60603      -0.96537       2.26782 
H              2.09651       1.10014       2.4709 
H              2.5544        0.92418       0.77011 
H              0.59062       2.81515      -1.08726 
H              0.97998       1.06882      -1.13954 
H             -1.23126       2.02355      -2.31858 
H             -1.92214       1.98741      -0.69134 
H             -2.62158      -1.48366       0.06078 
H             -1.50331      -0.25955       0.71407 
H             -0.67571      -2.88225      -0.70915 
H             -0.74311      -2.67747       1.0495 
 21 
Comment
S              1.14766      -1.65611       0.12279 
C              1.38675      -0.782         1.6889 
C              1.6666        0.72462       1.58221 
S              0.19616       1.79289       1.15463 
C              0.30086       1.81206      -0.75229 
C             -1.07254       1.53867      -1.38875 
S             -1.54631      -0.20663      -1.74127 
C             -1.61569      -1.03185      -0.14506 
C             -0.57541      -2.1402        0.06943 
H              2.23615      -1.26125       2.20739 
H              0.48651      -0.96537       2.29643 
H              1.96432       1.10014       2.57723 
H              2.5106        0.92418       0.90274 
H              0.64671       2.81515      -1.05486 
H              1.03827       1.06882      -1.08669 
H             -1.10822       2.02355      -2.37985 
H             -1.88333       1.98741      -0.79099 
H             -2.62117      -1.48366      -0.07651 
H             -1.53862      -0.25955       0.63441 
H             -0.63767      -2.88225      -0.74354 
H             -0.79702      -2.67747       1.00917 
 21 
Comment
S              1.13698      -1.65611       0.1851 
C              1.29646      -0.782         1.75916 
C              1.58151       0.72462       1.66726 
S              0.13279       1.79289       1.16573 
C              0.33982       1.81206      -0.73551 
C             -0.99839       1.53867      -1.44298 
S             -1.45574      -0.20663      -1.8174 
C             -1.60588      -1.03185      -0.22942 
C             -0.57826      -2.1402        0.03922 
H              2.11756      -1.26125       2.32139 
H              0.36566      -0.96537       2.31875 
H              1.82674       1.10014       2.6765 
H              2.45991       0.92418       1.0329 
H              0.70103       2.81515      -1.01957 
H              1.09372       1.06882      -1.03086 
H             -0.98215       2.02355      -2.43458 
H             -1.83935       1.98741      -0.88847 
H             -2.61358      -1.48366      -0.21359 
H             -1.56972      -0.25955       0.55302 
H             -0.59788      -2.88225      -0.7759 
H             -0.84875      -2.67747       0.96607 
 21 
Comment
S              1.12309      -1.65611       0.24649 
C              1.20262      -0.782         1.8246 
C              1.49208       0.72462       1.74775 
S              0.06895       1.79289       1.17322 
C              0.37784       1.81206      -0.71672 
C             -0.92151       1.53867      -1.49325 
S             -1.36127      -0.20663      -1.88896 
C             -1.59168      -1.03185      -0.31316 
C             -0.57952      -2.1402        0.00891 
H              1.99317      -1.26125       2.42904 
H              0.2438       -0.96537       2.33471 
H              1.68416       1.10014       2.76844 
H              2.40248       0.92418       1.16022 
H              0.75343       2.81515      -0.98148 
H              1.14617       1.06882      -0.9722 
H             -0.85339       2.02355      -2.48265 
H             -1.79033       1.98741      -0.98352 
H             -2.59882      -1.48366      -0.35008 
H             -1.59651      -0.25955       0.47011 
H             -0.55646      -2.88225      -0.80612 
H             -0.89814      -2.67747       0.92033 
 21 
Comment
S              1.10607      -1.65611       0.30681 
C              1.10548      -0.782         1.88504 
C              1.39856       0.72462       1.82344 
S              0.00488       1.79289       1.17709 
C              0.41484       1.81206      -0.69596 
C             -0.84209       1.53867      -1.53943 
S             -1.26312      -0.20663      -1.95574 
C             -1.57311      -1.03185      -0.39603 
C             -0.57919      -2.1402       -0.02143 
H              1.86331      -1.26125       2.53002 
H              0.12128      -0.96537       2.34427 
H              1.53697       1.10014       2.85279 
H              2.33847       0.92418       1.28437 
H              0.80376       2.81515      -0.94071 
H              1.19548       1.06882      -0.91089 
H             -0.72229       2.02355      -2.52391 
H             -1.7364        1.98741      -1.07587 
H             -2.57693      -1.48366      -0.48561 
H             -1.61892      -0.25955       0.38591 
H             -0.5135       -2.88225      -0.83414 
H             -0.94508      -2.67747       0.87206 
 21 
Comment
S              1.08601      -1.65611       0.36589 
C              1.00531      -0.782         1.94031 
C              1.30122       0.72462       1.89414 
S             -0.05922       1.79289       1.17735 
C              0.45069       1.81206      -0.6733 
C             -0.76037       1.53867      -1.58139 
S             -1.16152      -0.20663      -2.01755 
C             -1.55022      -1.03185      -0.47782 
C             -0.57728      -2.1402       -0.05172 
H              1.72835      -1.26125       2.62407 
H             -0.00158      -0.96537       2.3474 
H              1.38556       1.10014       2.92932 
H              2.26805       0.92418       1.40499 
H              0.8519        2.81515      -0.89735 
H              1.24152       1.06882      -0.84707 
H             -0.58921       2.02355      -2.55825 
H             -1.67772       1.98741      -1.16527 
H             -2.54799      -1.48366      -0.61981 
H             -1.6369       -0.25955       0.30065 
H             -0.46914      -2.88225      -0.85987 
H             -0.98942      -2.67747       0.82141 
 21 
Comment
S              1.06301      -1.65611       0.42359 
C              0.90238      -0.782         1.99027 
C              1.2003        0.72462       1.95964 
S             -0.12312       1.79289       1.174 
C              0.48531       1.81206      -0.64879 
C             -0.67656       1.53867      -1.61902 
S             -1.05671      -0.20663      -2.07421 
C             -1.52309      -1.03185      -0.55829 
C             -0.57378      -2.1402       -0.08186 
H              1.58864      -1.26125       2.71093 
H             -0.12443      -0.96537       2.3441 
H              1.23035       1.10014       2.99782 
H              2.19141       0.92418       1.52177 
H              0.89769       2.81515      -0.85154 
H              1.28415       1.06882      -0.78093 
H             -0.45451       2.02355      -2.58558 
H             -1.61443       1.98741      -1.25148 
H             -2.51206      -1.48366      -0.75231 
H             -1.65039      -0.25955       0.21457 
H             -0.4235       -2.88225      -0.88325 
H             -1.03106      -2.67747       0.7685 
 21 
Comment
S              1.03716      -1.65611       0.47978 
C              0.79698      -0.782         2.03477 
C              1.0961        0.72462       2.01978 
S             -0.18662       1.79289       1.16709 
C              0.5186        1.81206      -0.6225 
C             -0.5909        1.53867      -1.65221 
S             -0.94893      -0.20663      -2.12554 
C             -1.49179      -1.03185      -0.63724 
C             -0.56871      -2.1402       -0.11178 
H              1.44459      -1.26125       2.79036 
H             -0.24694      -0.96537       2.33438 
H              1.07177       1.10014       3.0581 
H              2.10876       0.92418       1.63437 
H              0.94103       2.81515      -0.80339 
H              1.32326       1.06882      -0.71266 
H             -0.31857       2.02355      -2.60583 
H             -1.54672       1.98741      -1.33426 
H             -2.46924      -1.48366      -0.88275 
H             -1.65936      -0.25955       0.1279 
H             -0.37669      -2.88225      -0.9042 
H             -1.06986      -2.67747       0.71349 
 21 
Comment
S              1.00857      -1.65611       0.53432 
C              0.6894       -0.782         2.07369 
C              0.98889       0.72462       2.07437 
S             -0.24951       1.79289       1.15664 
C              0.55047       1.81206      -0.5945 
C             -0.50362       1.53867      -1.68087 
S             -0.83845      -0.20663      -2.17137 
C             -1.45639      -1.03185      -0.71444 
C             -0.56208      -2.1402       -0.14139 
H              1.29657      -1.26125       2.86214 
H             -0.36877      -0.96537       2.31825 
H              0.91025       1.10014       3.11 
H              2.02033       0.92418       1.7425 
H              0.98178       2.81515      -0.75304 
H              1.35874       1.06882      -0.64243 
H             -0.18175       2.02355      -2.61893 
H             -1.47477       1.98741      -1.41338 
H             -2.41966      -1.48366      -1.01077 
H             -1.66378      -0.25955       0.04088 
H             -0.32886      -2.88225      -0.92268 
H             -1.10574      -2.67747       0.65652 
 21 
Comment
S              0.97735      -1.65611       0.58709 
C              0.57992      -0.782         2.10693 
C              0.87897       0.72462       2.12329 
S             -0.31157       1.79289       1.14271 
C              0.58083       1.81206      -0.56488 
C             -0.41496       1.53867      -1.70493 
S             -0.72553      -0.20663      -2.21156 
C             -1.417        -1.03185      -0.78968 
C             -0.55391      -2.1402       -0.17061 
H              1.145        -1.26125       2.92607 
H             -0.4896       -0.96537       2.29578 
H              0.74624       1.10014       3.15338 
H              1.92637       0.92418       1.84584 
H              1.01985       2.81515      -0.70062 
H              1.3905        1.06882      -0.57043 
H             -0.04444       2.02355      -2.62485 
H             -1.39878       1.98741      -1.48863 
H             -2.36344      -1.48366      -1.13602 
H             -1.66364      -0.25955      -0.04625 
H             -0.28012      -2.88225      -0.93862 
H             -1.13858      -2.67747       0.59775 
 21 
Comment
S              0.94362      -1.65611       0.63797 
C              0.46886      -0.782         2.13439 
C              0.76664       0.72462       2.16638 
S             -0.37261       1.79289       1.12538 
C              0.6096        1.81206      -0.53371 
C             -0.32517       1.53867      -1.72431 
S             -0.61045      -0.20663      -2.24596 
C             -1.37373      -1.03185      -0.86276 
C             -0.54422      -2.1402       -0.19937 
H              0.99029      -1.26125       2.98199 
H             -0.60908      -0.96537       2.26701 
H              0.58018       1.10014       3.18811 
H              1.82713       0.92418       1.94413 
H              1.05512       2.81515      -0.64629 
H              1.41845       1.06882      -0.49688 
H              0.09299       2.02355      -2.62358 
H             -1.31895       1.98741      -1.55979 
H             -2.30075      -1.48366      -1.25816 
H             -1.65894      -0.25955      -0.13325 
H             -0.23061      -2.88225      -0.952 
H             -1.16831      -2.67747       0.53734 
 21 
Comment
S              0.9075       -1.65611       0.68687 
C              0.35651      -0.782         2.156 
C              0.65221       0.72462       2.20353 
S             -0.43243       1.79289       1.10472 
C              0.63669       1.81206      -0.50107 
C             -0.23448       1.53867      -1.73896 
S             -0.49351      -0.20663      -2.27444 
C             -1.3267       -1.03185      -0.93347 
C             -0.53304      -2.1402       -0.22757 
H              0.83287      -1.26125       3.02973 
H             -0.72689      -0.96537       2.23202 
H              0.41253       1.10014       3.21411 
H              1.72287       0.92418       2.03709 
H              1.0875        2.81515      -0.59018 
H              1.44251       1.06882      -0.42196 
H              0.23017       2.02355      -2.61512 
H             -1.23551       1.98741      -1.62668 
H             -2.23175      -1.48366      -1.37685 
H             -1.64969      -0.25955      -0.21989 
H             -0.18047      -2.88225      -0.96276 
H             -1.19483      -2.67747       0.47546 
 21 
Comment
S              0.86912      -1.65611       0.73368 
C              0.24319      -0.782         2.17171 
C              0.53599       0.72462       2.23465 
S             -0.49085       1.79289       1.08083 
C              0.66205       1.81206      -0.46706 
C             -0.14315       1.53867      -1.74885 
S             -0.37499      -0.20663      -2.2969 
C             -1.27602      -1.03185      -1.00163 
C             -0.5204       -2.1402       -0.25516 
H              0.67317      -1.26125       3.06917 
H             -0.84271      -0.96537       2.19092 
H              0.24376       1.10014       3.23129 
H              1.6139        0.92418       2.12447 
H              1.11689       2.81515      -0.53246 
H              1.46262       1.06882      -0.34589 
H              0.36672       2.02355      -2.59949 
H             -1.14869       1.98741      -1.68912 
H             -2.15663      -1.48366      -1.49176 
H             -1.63592      -0.25955      -0.30593 
H             -0.12983      -2.88225      -0.97089 
H             -1.21807      -2.67747       0.41227 
 21 
Comment
S              0.82858      -1.65611       0.77831 
C              0.1292       -0.782         2.18146 
C              0.4183        0.72462       2.25963 
S             -0.54769       1.79289       1.05381 
C              0.68558       1.81206      -0.43178 
C             -0.05142       1.53867      -1.75394 
S             -0.25521      -0.20663      -2.31323 
C             -1.22185      -1.03185      -1.06704 
C             -0.50633      -2.1402       -0.28205 
H              0.51162      -1.26125       3.10019 
H             -0.95622      -0.96537       2.14381 
H              0.07431       1.10014       3.23962 
H              1.5005        0.92418       2.20602 
H              1.14323       2.81515      -0.47327 
H              1.47872       1.06882      -0.26887 
H              0.50227       2.02355      -2.57673 
H             -1.05871       1.98741      -1.74692 
H             -2.0756       -1.48366      -1.60259 
H             -1.61767      -0.25955      -0.39113 
H             -0.07884      -2.88225      -0.97635 
H             -1.23798      -2.67747       0.34796 
 21 
Comment
S              0.78604      -1.65611       0.82068 
C              0.01485      -0.782         2.18523 
C              0.29947       0.72462       2.27843 
S             -0.60277       1.79289       1.02377 
C              0.70724       1.81206      -0.3953 
C              0.04044       1.53867      -1.75423 
S             -0.13447      -0.20663      -2.32335 
C             -1.16434      -1.03185      -1.12952 
C             -0.49088      -2.1402       -0.30816 
H              0.34866      -1.26125       3.12272 
H             -1.0671       -0.96537       2.09083 
H             -0.09534       1.10014       3.23907 
H              1.38299       0.92418       2.28153 
H              1.16643       2.81515      -0.41279 
H              1.49076       1.06882      -0.19111 
H              0.63643       2.02355      -2.54691 
H             -0.96583       1.98741      -1.79993 
H             -1.98888      -1.48366      -1.70902 
H             -1.59498      -0.25955      -0.47525 
H             -0.02764      -2.88225      -0.97914 
H             -1.25449      -2.67747       0.28269 
 21 
Comment
S              0.7416       -1.65611       0.86071 
C             -0.09954      -0.782         2.18301 
C              0.17982       0.72462       2.29098 
S             -0.65593       1.79289       0.99084 
C              0.72696       1.81206      -0.35775 
C              0.1322        1.53867      -1.74971 
S             -0.01311      -0.20663      -2.32718 
C             -1.10363      -1.03185      -1.18891 
C             -0.47408      -2.1402       -0.33343 
H              0.18476      -1.26125       3.13669 
H             -1.17507      -0.96537       2.03212 
H             -0.26473       1.10014       3.22964 
H              1.26169       0.92418       2.35078 
H              1.18644       2.81515      -0.35118 
H              1.49872       1.06882      -0.11283 
H              0.76886       2.02355      -2.51012 
H             -0.87031       1.98741      -1.84801 
H             -1.89671      -1.48366      -1.81077 
H             -1.56792      -0.25955      -0.55808 
H              0.02364      -2.88225      -0.97924 
H             -1.26757      -2.67747       0.21665 
 21 
Comment
S              0.6954       -1.65611       0.89834 
C             -0.21365      -0.782         2.17481 
C              0.05967       0.72462       2.29725 
S             -0.70703       1.79289       0.95516 
C              0.74469       1.81206      -0.31921 
C              0.22359       1.53867      -1.74039 
S              0.10857      -0.20663      -2.32467 
C             -1.03989      -1.03185      -1.24504 
C             -0.45598      -2.1402       -0.35778 
H              0.02034      -1.26125       3.14206 
H             -1.27981      -0.96537       1.96784 
H             -0.43339       1.10014       3.21136 
H              1.13693       0.92418       2.41359 
H              1.20319       2.81515      -0.28861 
H              1.50257       1.06882      -0.03424 
H              0.89917       2.02355      -2.46644 
H             -0.7724        1.98741      -1.89103 
H             -1.79935      -1.48366      -1.90755 
H             -1.53657      -0.25955      -0.63937 
H              0.07486      -2.88225      -0.97666 
H             -1.27717      -2.67747       0.15001 
 21 
Comment
S              0.64757      -1.65611       0.93351 
C             -0.32718      -0.782         2.16065 
C             -0.06064       0.72462       2.29723 
S             -0.75591       1.79289       0.91685 
C              0.76037       1.81206      -0.2798 
C              0.31437       1.53867      -1.72631 
S              0.23022      -0.20663      -2.3158 
C             -0.9733       -1.03185      -1.29776 
C             -0.43663      -2.1402       -0.38115 
H             -0.14413      -1.26125       3.13882 
H             -1.38104      -0.96537       1.89816 
H             -0.60087       1.10014       3.18428 
H              1.00905       0.92418       2.46979 
H              1.21665       2.81515      -0.22524 
H              1.5023        1.06882       0.04445 
H              1.02702       2.02355      -2.416 
H             -0.67237       1.98741      -1.92886 
H             -1.69705      -1.48366      -1.99911 
H             -1.501        -0.25955      -0.71891 
H              0.12587      -2.88225      -0.97141 
H             -1.28327      -2.67747       0.08296 
 21 
Comment
S              0.59823      -1.65611       0.96617 
C             -0.43981      -0.782         2.14057 
C             -0.18079       0.72462       2.2909 
S             -0.80245       1.79289       0.87608 
C              0.77397       1.81206      -0.23962 
C              0.40428       1.53867      -1.70749 
S              0.35151      -0.20663      -2.30053 
C             -0.90405      -1.03185      -1.34692 
C             -0.41608      -2.1402       -0.40348 
H             -0.3082       -1.26125       3.12697 
H             -1.47849      -0.96537       1.82328 
H             -0.7667        1.10014       3.14847 
H              0.87841       0.92418       2.51921 
H              1.22677       2.81515      -0.16126 
H              1.49792       1.06882       0.12301 
H              1.15206       2.02355      -2.35894 
H             -0.5705        1.98741      -1.96141 
H             -1.5901       -1.48366      -2.08518 
H             -1.46132      -0.25955      -0.79648 
H              0.17654      -2.88225      -0.96349 
H             -1.28586      -2.67747       0.01569 
 21 
Comment
S              0.54752      -1.65611       0.99626 
C             -0.55124      -0.782         2.11462 
C             -0.30043       0.72462       2.2783 
S             -0.84653       1.79289       0.83299 
C              0.78545       1.81206      -0.19879 
C              0.49309       1.53867      -1.68399 
S              0.47211      -0.20663      -2.27888 
C             -0.83232      -1.03185      -1.39239 
C             -0.39439      -2.1402       -0.42471 
H             -0.47144      -1.26125       3.10656 
H             -1.57189      -0.96537       1.7434 
H             -0.93043       1.10014       3.10403 
H              0.74536       0.92418       2.56173 
H              1.23353       2.81515      -0.09683 
H              1.48943       1.06882       0.20124 
H              1.27394       2.02355      -2.29541 
H             -0.46707       1.98741      -1.98858 
H             -1.47879      -1.48366      -2.16554 
H             -1.41763      -0.25955      -0.87187 
H              0.22672      -2.88225      -0.95293 
H             -1.28491      -2.67747      -0.05163 
 21 
Comment
S              0.49556      -1.65611       1.02375 
C             -0.66115      -0.782         2.08287 
C             -0.41926       0.72462       2.25946 
S             -0.88803       1.79289       0.78774 
C              0.79478       1.81206      -0.15741 
C              0.58055       1.53867      -1.65588 
S              0.59166      -0.20663      -2.25085 
C             -0.75831      -1.03185      -1.43404 
C             -0.37162      -2.1402       -0.44477 
H             -0.63337      -1.26125       3.07762 
H             -1.66098      -0.96537       1.65875 
H             -1.0916        1.10014       3.05108 
H              0.61027       0.92418       2.59723 
H              1.2369        2.81515      -0.03214 
H              1.47686       1.06882       0.27892 
H              1.39232       2.02355      -2.22559 
H             -0.36235       1.98741      -2.0103 
H             -1.36343      -1.48366      -2.23997 
H             -1.37006      -0.25955      -0.94487 
H              0.27629      -2.88225      -0.93976 
H             -1.28045      -2.67747      -0.1188 
 21 
Comment
S              0.44249      -1.65611       1.0486 
C             -0.76925      -0.782         2.04541 
C             -0.53694       0.72462       2.23442 
S             -0.92686       1.79289       0.7405 
C              0.80193       1.81206      -0.1156 
C              0.66642       1.53867      -1.62322 
S              0.70983      -0.20663      -2.21648 
C             -0.68222      -1.03185      -1.47176 
C             -0.34784      -2.1402       -0.46361 
H             -0.79358      -1.26125       3.04026 
H             -1.74551      -0.96537       1.56954 
H             -1.24979       1.10014       2.98977 
H              0.47351       0.92418       2.62561 
H              1.23689       2.81515       0.03264 
H              1.46023       1.06882       0.35583 
H              1.5069        2.02355      -2.14967 
H             -0.25664       1.98741      -2.02651 
H             -1.24433      -1.48366      -2.30826 
H             -1.31873      -0.25955      -1.01528 
H              0.32509      -2.88225      -0.92401 
H             -1.27248      -2.67747      -0.18566 
 21 
Comment
S              0.38841      -1.65611       1.07078 
C             -0.87525      -0.782         2.00235 
C             -0.65314       0.72462       2.20326 
S             -0.96293       1.79289       0.69144 
C              0.80688       1.81206      -0.07347 
C              0.75046       1.53867      -1.58612 
S              0.82627      -0.20663      -2.17583 
C             -0.60426      -1.03185      -1.50545 
C             -0.3231       -2.1402       -0.48117 
H             -0.9516       -1.26125       2.99456 
H             -1.82527      -0.96537       1.47604 
H             -1.40455       1.10014       2.92026 
H              0.33544       0.92418       2.64679 
H              1.23349       2.81515       0.09733 
H              1.43961       1.06882       0.43176 
H              1.61734       2.02355      -2.06786 
H             -0.15023       1.98741      -2.03716 
H             -1.12182      -1.48366      -2.37022 
H             -1.26379      -0.25955      -1.0829 
H              0.373        -2.88225      -0.90573 
H             -1.26102      -2.67747      -0.252 
 21 
Comment
S              0.33347      -1.65611       1.09026 
C             -0.97884      -0.782         1.9538 
C             -0.76755       0.72462       2.16605 
S             -0.99616       1.79289       0.64072 
C              0.80962       1.81206      -0.03114 
C              0.83244       1.53867      -1.54467 
S              0.94065      -0.20663      -2.12898 
C             -0.52464      -1.03185      -1.53501 
C             -0.29747      -2.1402       -0.49742 
H             -1.10702      -1.26125       2.94065 
H             -1.90001      -0.96537       1.37849 
H             -1.55546       1.10014       2.84275 
H              0.19646       0.92418       2.66072 
H              1.2267        2.81515       0.16175 
H              1.41504       1.06882       0.50651 
H              1.72334       2.02355      -1.98038 
H             -0.04341       1.98741      -2.04223 
H             -0.99623      -1.48366      -2.42568 
H             -1.20538      -0.25955      -1.14756 
H              0.41989      -2.88225      -0.88497 
H             -1.2461       -2.67747      -0.31765 
 21 
Comment
S              0.27779      -1.65611       1.10704 
C             -1.07976      -0.782         1.89989 
C             -0.87987       0.72462       2.12291 
S             -1.0265        1.79289       0.58852 
C              0.81014       1.81206       0.01128 
C              0.91214       1.53867      -1.49899 
S              1.05261      -0.20663      -2.07602 
C             -0.44358      -1.03185      -1.56036 
C             -0.27103      -2.1402       -0.51231 
H             -1.25941      -1.26125       2.87869 
H             -1.96955      -0.96537       1.27716 
H             -1.7021        1.10014       2.75745 
H              0.05694       0.92418       2.66736 
H              1.21656       2.81515       0.22573 
H              1.38659       1.06882       0.57988 
H              1.82463       2.02355      -1.88748 
H              0.06353       1.98741      -2.0417 
H             -0.86791      -1.48366      -2.47449 
H             -1.14367      -0.25955      -1.20907 
H              0.46563      -2.88225      -0.86178 
H             -1.22777      -2.67747      -0.38243 
 21 
Comment
S              0.22148      -1.65611       1.12108 
C             -1.17771      -0.782         1.84078 
C             -0.98976       0.72462       2.07396 
S             -1.05389       1.79289       0.53501 
C              0.80844       1.81206       0.05366 
C              0.98934       1.53867      -1.4492 
S              1.16183      -0.20663      -2.01706 
C             -0.36131      -1.03185      -1.58144 
C             -0.24385      -2.1402       -0.52579 
H             -1.40834      -1.26125       2.80883 
H             -2.0337       -0.96537       1.17233 
H             -1.84409       1.10014       2.66459 
H             -0.08274       0.92418       2.66668 
H              1.20308       2.81515       0.28909 
H              1.35434       1.06882       0.65165 
H              1.92091       2.02355      -1.7894 
H              0.1703        1.98741      -2.03558 
H             -0.73722      -1.48366      -2.51653 
H             -1.07882      -0.25955      -1.26727 
H              0.5101       -2.88225      -0.83623 
H             -1.20607      -2.67747      -0.44616 
 21 
Comment
S              0.16466      -1.65611       1.13239 
C             -1.27243      -0.782         1.77662 
C             -1.09695       0.72462       2.01931 
S             -1.07828       1.79289       0.48037 
C              0.80452       1.81206       0.0959 
C              1.06383       1.53867      -1.39543 
S              1.26796      -0.20663      -1.95224 
C             -0.27805      -1.03185      -1.59818 
C             -0.216        -2.1402       -0.53784 
H             -1.55341      -1.26125       2.73127 
H             -2.09227      -0.96537       1.06429 
H             -1.98101       1.10014       2.56442 
H             -0.22219       0.92418       2.6587 
H              1.1863        2.81515       0.35166 
H              1.31838       1.06882       0.72164 
H              2.01193       2.02355      -1.68641 
H              0.2766        1.98741      -2.02388 
H             -0.60451      -1.48366      -2.55166 
H             -1.01102      -0.25955      -1.322 
H              0.55316      -2.88225      -0.80838 
H             -1.18107      -2.67747      -0.50867 
 21 
Comment
S              0.10747      -1.65611       1.14094 
C             -1.36367      -0.782         1.70759 
C             -1.20113       0.72462       1.95914 
S             -1.09965       1.79289       0.42477 
C              0.7984        1.81206       0.13787 
C              1.1354        1.53867      -1.33784 
S              1.37069      -0.20663      -1.88172 
C             -0.19403      -1.03185      -1.61054 
C             -0.18755      -2.1402       -0.5484 
H             -1.69423      -1.26125       2.64623 
H             -2.1451       -0.96537       0.95333 
H             -2.11251       1.10014       2.45723 
H             -0.36103       0.92418       2.64343 
H              1.16627       2.81515       0.41326 
H              1.27881       1.06882       0.78965 
H              2.09743       2.02355      -1.5788 
H              0.38214       1.98741      -2.00663 
H             -0.47013      -1.48366      -2.5798 
H             -0.94045      -0.25955      -1.3731 
H              0.59471      -2.88225      -0.77833 
H             -1.15283      -2.67747      -0.56979 
 21 
Comment
S              0.05001      -1.65611       1.14675 
C             -1.45117      -0.782         1.63388 
C             -1.30202       0.72462       1.89359 
S             -1.11797       1.79289       0.36838 
C              0.79009       1.81206       0.17947 
C              1.20387       1.53867      -1.27659 
S              1.46969      -0.20663      -1.80566 
C             -0.10947      -1.03185      -1.61849 
C             -0.15859      -2.1402       -0.55747 
H             -1.8304       -1.26125       2.55393 
H             -2.19205      -0.96537       0.83976 
H             -2.23821       1.10014       2.3433 
H             -0.49888       0.92418       2.62091 
H              1.14304       2.81515       0.47373 
H              1.23573       1.06882       0.85549 
H              2.17718       2.02355      -1.46687 
H              0.48664       1.98741      -1.98388 
H             -0.33447      -1.48366      -2.60087 
H             -0.8673       -0.25955      -1.42043 
H              0.63463      -2.88225      -0.74613 
H             -1.12143      -2.67747      -0.62934 
 21 
Comment
S             -0.0076       -1.65611       1.1498 
C             -1.53469      -0.782         1.55569 
C             -1.39934       0.72462       1.82285 
S             -1.13324       1.79289       0.31137 
C              0.77962       1.81206       0.22057 
C              1.26903       1.53867      -1.21183 
S              1.56466      -0.20663      -1.72426 
C             -0.02462      -1.03185      -1.622 
C             -0.1292       -2.1402       -0.565 
H             -1.96155      -1.26125       2.45464 
H             -2.233        -0.96537       0.72389 
H             -2.35779       1.10014       2.22295 
H             -0.63536       0.92418       2.59121 
H              1.11668       2.81515       0.5329 
H              1.18926       1.06882       0.91899 
H              2.25097       2.02355      -1.35091 
H              0.5898        1.98741      -1.95569 
H             -0.1979       -1.48366      -2.61481 
H             -0.79177      -0.25955      -1.46388 
H              0.67281      -2.88225      -0.7119 
H             -1.08695      -2.67747      -0.68717 
 21 
Comment
S             -0.06524      -1.65611       1.1501 
C             -1.61401      -0.782         1.47324 
C             -1.49282       0.72462       1.74712 
S             -1.14546       1.79289       0.25391 
C              0.767         1.81206       0.26107 
C              1.33071       1.53867      -1.14376 
S              1.65528      -0.20663      -1.63773 
C              0.06031      -1.03185      -1.62107 
C             -0.09945      -2.1402       -0.57099 
H             -2.08733      -1.26125       2.34861 
H             -2.26782      -0.96537       0.60603 
H             -2.4709        1.10014       2.09651 
H             -0.77011       0.92418       2.5544 
H              1.08726       2.81515       0.59062 
H              1.13954       1.06882       0.97998 
H              2.31858       2.02355      -1.23126 
H              0.69134       1.98741      -1.92214 
H             -0.06078      -1.48366      -2.62158 
H             -0.71407      -0.25955      -1.50331 
H              0.70915      -2.88225      -0.67571 
H             -1.0495       -2.67747      -0.74311 
 21 
Comment
S             -0.12279      -1.65611       1.14766 
C             -1.6889       -0.782         1.38675 
C             -1.58221       0.72462       1.6666 
S             -1.15463       1.79289       0.19616 
C              0.75229       1.81206       0.30086 
C              1.38875       1.53867      -1.07254 
S              1.74127      -0.20663      -1.54631 
C              0.14506      -1.03185      -1.61569 
C             -0.06943      -2.1402       -0.57541 
H             -2.20739      -1.26125       2.23615 
H             -2.29643      -0.96537       0.48651 
H             -2.57723       1.10014       1.96432 
H             -0.90274       0.92418       2.5106 
H              1.05486       2.81515       0.64671 
H              1.08669       1.06882       1.03827 
H              2.37985       2.02355      -1.10822 
H              0.79099       1.98741      -1.88333 
H              0.07651      -1.48366      -2.62117 
H             -0.63441      -0.25955      -1.53862 
H              0.74354      -2.88225      -0.63767 
H             -1.00917      -2.67747      -0.79702 
 21 
Comment
S             -0.18015      -1.65611       1.14248 
C             -1.75916      -0.782         1.29646 
C             -1.66726       0.72462       1.58151 
S             -1.16077       1.79289       0.13829 
C              0.73551       1.81206       0.33982 
C              1.44298       1.53867      -0.99839 
S              1.82236      -0.20663      -1.45024 
C              0.22942      -1.03185      -1.60588 
C             -0.03922      -2.1402       -0.57826 
H             -2.32139      -1.26125       2.11756 
H             -2.31875      -0.96537       0.36566 
H             -2.6765        1.10014       1.82674 
H             -1.0329        0.92418       2.45991 
H              1.01957       2.81515       0.70103 
H              1.03086       1.06882       1.09372 
H              2.43458       2.02355      -0.98215 
H              0.88847       1.98741      -1.83935 
H              0.21359      -1.48366      -2.61358 
H             -0.55302      -0.25955      -1.56972 
H              0.7759       -2.88225      -0.59788 
H             -0.96607      -2.67747      -0.84875 
 21 
Comment
S             -0.23719      -1.65611       1.13458 
C             -1.8246       -0.782         1.20262 
C             -1.74775       0.72462       1.49208 
S             -1.16391       1.79289       0.08044 
C              0.71672       1.81206       0.37784 
C              1.49325       1.53867      -0.92151 
S              1.89826      -0.20663      -1.34978 
C              0.31316      -1.03185      -1.59168 
C             -0.00891      -2.1402       -0.57952 
H             -2.42904      -1.26125       1.99317 
H             -2.33471      -0.96537       0.2438 
H             -2.76844       1.10014       1.68416 
H             -1.16022       0.92418       2.40248 
H              0.98148       2.81515       0.75343 
H              0.9722        1.06882       1.14617 
H              2.48265       2.02355      -0.85339 
H              0.98352       1.98741      -1.79033 
H              0.35008      -1.48366      -2.59882 
H             -0.47011      -0.25955      -1.59651 
H              0.80612      -2.88225      -0.55646 
H             -0.92033      -2.67747      -0.89814 
 21 
Comment
S             -0.2938       -1.65611       1.12397 
C             -1.88504      -0.782         1.10548 
C             -1.82344       0.72462       1.39856 
S             -1.16409       1.79289       0.02278 
C              0.69596       1.81206       0.41484 
C              1.53943       1.53867      -0.84209 
S              1.96875      -0.20663      -1.24523 
C              0.39603      -1.03185      -1.57311 
C              0.02143      -2.1402       -0.57919 
H             -2.53002      -1.26125       1.86331 
H             -2.34427      -0.96537       0.12128 
H             -2.85279       1.10014       1.53697 
H             -1.28437       0.92418       2.33847 
H              0.94071       2.81515       0.80376 
H              0.91089       1.06882       1.19548 
H              2.52391       2.02355      -0.72229 
H              1.07587       1.98741      -1.7364 
H              0.48561      -1.48366      -2.57693 
H             -0.38591      -0.25955      -1.61892 
H              0.83414      -2.88225      -0.5135 
H             -0.87206      -2.67747      -0.94508 
 21 
Comment
S             -0.34987      -1.65611       1.11067 
C             -1.94031      -0.782         1.00531 
C             -1.89414       0.72462       1.30122 
S             -1.16133       1.79289      -0.03456 
C              0.6733        1.81206       0.45069 
C              1.58139       1.53867      -0.76037 
S              2.03357      -0.20663      -1.13686 
C              0.47782      -1.03185      -1.55022 
C              0.05172      -2.1402       -0.57728 
H             -2.62407      -1.26125       1.72835 
H             -2.3474       -0.96537      -0.00158 
H             -2.92932       1.10014       1.38556 
H             -1.40499       0.92418       2.26805 
H              0.89735       2.81515       0.8519 
H              0.84707       1.06882       1.24152 
H              2.55825       2.02355      -0.58921 
H              1.16527       1.98741      -1.67772 
H              0.61981      -1.48366      -2.54799 
H             -0.30065      -0.25955      -1.6369 
H              0.85987      -2.88225      -0.46914 
H             -0.82141      -2.67747      -0.98942 
 21 
Comment
S             -0.40529      -1.65611       1.09471 
C             -1.99027      -0.782         0.90238 
C             -1.95964       0.72462       1.2003 
S             -1.1557        1.79289      -0.09142 
C              0.64879       1.81206       0.48531 
C              1.61902       1.53867      -0.67656 
S              2.09251      -0.20663      -1.02501 
C              0.55829      -1.03185      -1.52309 
C              0.08186      -2.1402       -0.57378 
H             -2.71093      -1.26125       1.58864 
H             -2.3441       -0.96537      -0.12443 
H             -2.99782       1.10014       1.23035 
H             -1.52177       0.92418       2.19141 
H              0.85154       2.81515       0.89769 
H              0.78093       1.06882       1.28415 
H              2.58558       2.02355      -0.45451 
H              1.25148       1.98741      -1.61443 
H              0.75231      -1.48366      -2.51206 
H             -0.21457      -0.25955      -1.65039 
H              0.88325      -2.88225      -0.4235 
H             -0.7685       -2.67747      -1.03106 
