    81
 geometry
 C                     3.66518406    -2.97830843    -0.44090725
 C                     2.79344039    -3.55941158     0.44108370
 S                     2.99162678    -1.57244014    -1.17944090
 C                     1.47236143    -1.78894335    -0.30734881
 C                     1.52648847    -2.89612894     0.53593883
 H                     3.04826174    -4.44412601     1.02208155
 H                     4.67251560    -3.30270237    -0.69392424
 C                     0.45488115    -0.76109060    -0.56812713
 C                     0.47542113    -3.31147774     1.54603231
 C                     0.43678062    -4.81449169     1.88569604
 H                    -0.51406615    -2.98422939     1.20658588
 H                     0.68089495    -2.75983251     2.48289864
 C                     0.08564484    -5.75815140     0.72506405
 H                    -0.30327371    -4.95131955     2.69450173
 H                     1.40296074    -5.12319473     2.32123845
 C                    -1.34956629    -5.62585185     0.20380754
 H                     0.24992333    -6.79843845     1.06192215
 H                     0.79141625    -5.59690688    -0.10996475
 C                    -1.67535307    -6.61321641    -0.92151762
 H                    -1.52570128    -4.59677930    -0.15310439
 H                    -2.05507420    -5.78707979     1.04250192
 C                    -3.10820245    -6.48530657    -1.44221806
 H                    -1.50298177    -7.64686416    -0.56753382
 H                    -0.96693999    -6.45769701    -1.75607668
 H                    -3.84355655    -6.66726664    -0.63951959
 H                    -3.31364051    -7.20562442    -2.25055129
 H                    -3.29778397    -5.47386020    -1.84041398
 N                     0.93072884     0.44916117    -0.93563528
 C                     0.09628457     1.46435920    -1.24117377
 N                    -1.25351515     1.40379156    -1.22549270
 C                    -1.71045023     0.20816458    -0.88282843
 C                    -0.94677365    -0.93313477    -0.54159015
 N                    -1.79005641    -2.00647412    -0.29989089
 C                    -2.99843634    -1.52258047    -0.47465085
 N                    -3.03056179    -0.19000943    -0.82711325
 C                    -4.20414423     0.63864514    -1.10639319
 C                    -4.93128496     1.13192715     0.15008220
 H                    -4.88845700     0.05070558    -1.73730065
 H                    -3.84176588     1.48805695    -1.70307668
 C                    -4.10329407     2.05796607     1.04568815
 H                    -5.28360108     0.26129397     0.73324675
 H                    -5.84148948     1.65831722    -0.18982593
 C                    -4.89105152     2.56785565     2.25798868
 H                    -3.74300411     2.91621804     0.44983470
 H                    -3.19910985     1.52400033     1.38297326
 C                    -4.12036952     3.54562766     3.15746719
 H                    -5.22807627     1.70488990     2.86381986
 H                    -5.81168173     3.06452058     1.90062429
 C                    -2.91434581     2.93557909     3.87736027
 H                    -4.81913020     3.95213606     3.90941560
 H                    -3.78964207     4.40986639     2.55233945
 H                    -3.21322999     2.06773057     4.49048085
 H                    -2.44191981     3.66972144     4.54945562
 H                    -2.13976213     2.59368950     3.17218520
 C                     0.66186356     2.76153249    -1.64279099
 C                     1.96409344     3.24519455    -1.68989954
 C                     2.00672402     4.58860019    -2.18962837
 C                     0.77916094     5.10463361    -2.50403417
 S                    -0.49354590     3.97294401    -2.20251210
 C                     3.22922545     2.52517398    -1.28350632
 H                     2.93658565     5.14453238    -2.31236870
 H                     0.55140827     6.09191012    -2.90105638
 C                     4.01600206     3.22385563    -0.15223329
 H                     3.88807012     2.47286529    -2.16937072
 H                     2.99175631     1.49319613    -1.00849131
 C                     3.27698857     3.33142314     1.19326033
 H                     4.29061674     4.24354823    -0.47671165
 H                     4.96823113     2.68413181    -0.02695187
 C                     2.96658530     2.01325999     1.93152286
 H                     2.32686892     3.86387101     1.01249076
 H                     3.86093104     3.98773120     1.86507732
 C                     4.07317141     1.46106792     2.84673401
 H                     2.66329288     1.23708986     1.20727199
 H                     2.07867395     2.18434222     2.56555733
 C                     5.34833232     0.96873536     2.15492075
 H                     5.11618037     0.23622820     1.36336699
 H                     6.02142070     0.47771971     2.87720175
 H                     5.91543467     1.79238795     1.69294101
 H                     3.64442399     0.62208760     3.42400896
 H                     4.33939348     2.23270918     3.59384859
 H                    -3.91622782    -2.09867938    -0.36881279
