    61
 geometry
 C                    -3.61233453     2.77239929    -1.89319649
 C                    -3.28814679     1.55907588    -2.58190920
 C                    -2.30932757     0.71995394    -2.07165622
 C                    -1.61148716     1.03831217    -0.90083955
 C                    -1.95572212     2.29401742    -0.18839404
 C                    -2.97532829     3.13373543    -0.73832506
 C                    -1.25567328     2.54599938     0.99869283
 N                    -0.30606978     1.54838214     1.34745903
 C                     0.39570887     1.69177780     2.48017383
 C                     0.26276213     2.77484724     3.33049462
 C                    -0.67576026     3.79707135     3.00413236
 C                    -1.41562533     3.67038525     1.86123059
 C                    -3.29881320    -3.12780673     1.96593463
 C                    -3.08164435    -1.91513649     2.62326779
 C                    -2.20195619    -0.97018486     2.09862902
 C                    -1.51647157    -1.21507517     0.90387689
 C                    -1.74638834    -2.44819790     0.24188813
 C                    -2.63403097    -3.39223597     0.77732868
 C                    -1.02394898    -2.64619025    -1.01183098
 N                    -0.21876054    -1.60594719    -1.37479380
 C                     0.48219986    -1.66460030    -2.52077840
 C                     0.43694223    -2.75826489    -3.36701764
 C                    -0.37264976    -3.83762156    -3.01000979
 C                    -1.10338662    -3.77705955    -1.83571141
 N                     1.69972858    -0.92132452     0.86625944
 N                     1.89497187    -1.92147658     1.67808012
 N                     3.21663195    -2.05782329     1.80725601
 C                     3.88675867    -1.13647651     1.07173671
 C                     2.89881515    -0.39891483     0.45745479
 C                     2.85530401     0.70892753    -0.47303803
 C                     3.78046293     1.53311920    -1.07422166
 N                     3.04025965     2.37328435    -1.84014329
 N                     1.73453862     2.10603884    -1.73750214
 N                     1.62014534     1.10447239    -0.91460253
 C                     3.75232684    -3.09326796     2.68968029
 C                     3.49969578     3.45813037    -2.70566083
 Ir                   -0.18062047    -0.00679774    -0.01008863
 H                    -4.38787533     3.41473178    -2.29818409
 H                    -3.81716982     1.30149706    -3.49230225
 H                    -2.08471696    -0.20367421    -2.59312909
 H                    -3.25139820     4.05477483    -0.23803187
 H                     1.08549670     0.88933916     2.71251240
 H                     0.86547989     2.82401247     4.22903722
 H                    -0.80340930     4.65327623     3.65499007
 H                    -2.14127510     4.43012928     1.59743481
 H                    -3.98727008    -3.85818896     2.37605807
 H                    -3.60700068    -1.70412604     3.54951706
 H                    -2.06076601    -0.03298584     2.62437054
 H                    -2.81452016    -4.33360283     0.26922991
 H                     1.07867335    -0.79197842    -2.75376286
 H                     1.01469348    -2.75872142    -4.28295079
 H                    -0.43561215    -4.71351322    -3.64643150
 H                    -1.74296385    -4.60198186    -1.55129149
 H                     4.96260442    -1.08608385     1.04381083
 H                     4.85522005     1.59089726    -1.02348181
 H                     4.82451180    -3.17374974     2.52460504
 H                     3.27083835    -4.04043207     2.45531975
 H                     3.55651007    -2.82924118     3.72830084
 H                     2.61845521     3.91596449    -3.14681161
 H                     4.14141264     3.06061086    -3.49198763
 H                     4.04352284     4.19769093    -2.11838143
