272
i =       79, E =     -2358.0294155283
Zn        -0.03788       -0.06574        1.94690
C          5.18963       -0.01675        3.79783
C          6.05884        0.09034        2.69723
N          7.34688        0.03594        3.10541
H          5.82349        0.20030        1.64448
N          1.57192       -0.23336        3.14915
N          1.57457        0.10810        4.49228
N         -0.09770        1.58165        0.78805
N          0.04357        1.57994        6.83844
N          0.11343        7.36059        0.76128
N         -0.21343        7.35572        6.82790
N          7.35324       -0.10193        4.46534
C          3.73446       -0.02381        3.79937
C         -0.03592        3.74416        0.10219
C         -0.04184        5.19898        0.08997
C          2.85914       -0.30151        2.74015
C          2.86436        0.24316        4.88271
C         -0.15054        2.87013        1.20020
C          0.08300        2.86823        6.42117
C          0.22605        6.07331        1.16689
C         -0.29823        6.06949        6.43007
C          6.06861       -0.13906        4.88862
H          3.08861       -0.55195        1.70869
H         -0.30300        3.09370        2.25004
H          0.19257        3.09603        5.36653
H         -0.54400        5.83345        5.39911
H          5.85322       -0.29141        5.94003
Zn        -0.06059       -0.06344        5.65474
N          3.19731        0.56285        6.20086
H          4.07319        1.08010        6.25693
H          2.45305        1.07818        6.67372
N          0.53200        5.75119        2.49171
H          1.05936        4.88206        2.55662
H          1.04147        6.50505        2.95911
Zn         8.99107       -0.06575        1.94690
C         14.21858       -0.01675        3.79783
C         15.08779        0.09034        2.69723
N         16.37583        0.03594        3.10541
H         14.85244        0.20030        1.64449
N         10.60087       -0.23336        3.14916
N         10.60352        0.10810        4.49228
N          8.93125        1.58165        0.78805
N          9.07252        1.57994        6.83844
N          9.14239        7.36059        0.76128
N          8.81552        7.35572        6.82790
N         16.38219       -0.10193        4.46534
C         12.76342       -0.02381        3.79937
C          8.99303        3.74416        0.10219
C          8.98711        5.19898        0.08997
C         11.88809       -0.30151        2.74015
C         11.89331        0.24316        4.88271
C          8.87841        2.87013        1.20020
C          9.11196        2.86823        6.42117
C          9.25500        6.07331        1.16690
C          8.73072        6.06949        6.43007
C         15.09757       -0.13906        4.88862
H         12.11756       -0.55195        1.70869
H          8.72595        3.09370        2.25004
H          9.22152        3.09603        5.36653
H          8.48495        5.83345        5.39911
H         14.88217       -0.29141        5.94004
Zn         8.96836       -0.06344        5.65474
N         12.22626        0.56285        6.20085
H         13.10214        1.08010        6.25693
H         11.48200        1.07818        6.67372
N          9.56095        5.75119        2.49171
H         10.08831        4.88206        2.55662
H         10.07042        6.50505        2.95911
Zn        -0.03788        8.96755        1.94690
C          5.18963        9.01654        3.79783
C          6.05884        9.12363        2.69723
N          7.34688        9.06923        3.10541
H          5.82349        9.23360        1.64448
N          1.57192        8.79993        3.14915
N          1.57457        9.14139        4.49228
N         -0.09770       10.61494        0.78805
N          0.04357       10.61323        6.83844
N          0.11343       16.39389        0.76128
N         -0.21343       16.38901        6.82790
N          7.35324        8.93136        4.46534
C          3.73446        9.00948        3.79937
C         -0.03592       12.77745        0.10219
C         -0.04184       14.23228        0.08997
C          2.85914        8.73178        2.74015
C          2.86436        9.27646        4.88271
C         -0.15054       11.90342        1.20020
C          0.08300       11.90152        6.42117
C          0.22605       15.10660        1.16689
C         -0.29823       15.10278        6.43007
C          6.06861        8.89423        4.88862
H          3.08861        8.48135        1.70869
H         -0.30300       12.12700        2.25004
H          0.19257       12.12932        5.36653
H         -0.54400       14.86674        5.39911
H          5.85322        8.74189        5.94003
Zn        -0.06059        8.96986        5.65474
N          3.19731        9.59614        6.20086
H          4.07319       10.11339        6.25693
H          2.45305       10.11147        6.67372
N          0.53200       14.78448        2.49171
H          1.05936       13.91536        2.55662
H          1.04147       15.53835        2.95911
Zn         8.99107        8.96755        1.94690
C         14.21858        9.01654        3.79783
C         15.08779        9.12363        2.69723
N         16.37583        9.06923        3.10541
H         14.85244        9.23360        1.64448
N         10.60087        8.79993        3.14915
N         10.60352        9.14139        4.49228
N          8.93125       10.61494        0.78805
N          9.07252       10.61323        6.83844
N          9.14239       16.39389        0.76128
N          8.81552       16.38901        6.82790
N         16.38219        8.93136        4.46534
C         12.76342        9.00948        3.79937
C          8.99303       12.77745        0.10218
C          8.98711       14.23228        0.08997
C         11.88809        8.73178        2.74015
C         11.89331        9.27646        4.88271
C          8.87841       11.90343        1.20020
C          9.11196       11.90152        6.42117
C          9.25500       15.10660        1.16690
C          8.73072       15.10278        6.43007
C         15.09757        8.89423        4.88862
H         12.11756        8.48135        1.70869
H          8.72595       12.12700        2.25004
H          9.22153       12.12933        5.36653
H          8.48495       14.86675        5.39911
H         14.88217        8.74189        5.94003
Zn         8.96836        8.96985        5.65474
N         12.22626        9.59614        6.20086
H         13.10214       10.11339        6.25693
H         11.48200       10.11147        6.67372
N          9.56095       14.78448        2.49171
H         10.08831       13.91536        2.55662
H         10.07042       15.53834        2.95911
Zn        -0.03790       -0.06576        9.35872
C          5.18962       -0.01677       11.20965
C          6.05885        0.09031       10.10907
N          7.34688        0.03590       10.51723
H          5.82348        0.20028        9.05634
N          1.57192       -0.23339       10.56099
N          1.57455        0.10808       11.90412
N         -0.09771        1.58164        8.19986
N          0.04354        1.57994       14.25027
N          0.11345        7.36059        8.17309
N         -0.21344        7.35571       14.23974
N          7.35323       -0.10196       11.87717
C          3.73446       -0.02383       11.21122
C         -0.03592        3.74416        7.51400
C         -0.04185        5.19898        7.50177
C          2.85914       -0.30153       10.15199
C          2.86434        0.24315       12.29456
C         -0.15057        2.87012        8.61201
C          0.08297        2.86823       13.83300
C          0.22605        6.07329        8.57870
C         -0.29823        6.06948       13.84191
C          6.06860       -0.13909       12.30045
H          3.08859       -0.55197        9.12052
H         -0.30306        3.09369        9.66184
H          0.19249        3.09603       12.77836
H         -0.54401        5.83343       12.81095
H          5.85320       -0.29144       13.35188
Zn        -0.06061       -0.06343       13.06661
N          3.19728        0.56286       13.61269
H          4.07318        1.08009       13.66877
H          2.45304        1.07823       14.08553
N          0.53198        5.75114        9.90351
H          1.05937        4.88203        9.96839
H          1.04145        6.50499       10.37095
Zn         8.99105       -0.06576        9.35872
C         14.21858       -0.01677       11.20965
C         15.08780        0.09031       10.10907
N         16.37584        0.03590       10.51723
H         14.85243        0.20028        9.05633
N         10.60087       -0.23339       10.56099
N         10.60351        0.10808       11.90412
N          8.93124        1.58164        8.19986
N          9.07249        1.57994       14.25027
N          9.14240        7.36059        8.17309
N          8.81552        7.35571       14.23974
N         16.38218       -0.10196       11.87717
C         12.76341       -0.02383       11.21122
C          8.99303        3.74416        7.51400
C          8.98711        5.19898        7.50177
C         11.88810       -0.30153       10.15199
C         11.89329        0.24315       12.29456
C          8.87839        2.87012        8.61201
C          9.11193        2.86823       13.83300
C          9.25500        6.07329        8.57870
C          8.73072        6.06948       13.84191
C         15.09755       -0.13909       12.30045
H         12.11755       -0.55197        9.12052
H          8.72589        3.09369        9.66184
H          9.22144        3.09603       12.77836
H          8.48494        5.83343       12.81095
H         14.88216       -0.29144       13.35188
Zn         8.96834       -0.06343       13.06661
N         12.22624        0.56286       13.61269
H         13.10213        1.08009       13.66877
H         11.48199        1.07823       14.08553
N          9.56094        5.75114        9.90352
H         10.08832        4.88203        9.96839
H         10.07040        6.50499       10.37095
Zn        -0.03790        8.96754        9.35872
C          5.18962        9.01652       11.20965
C          6.05885        9.12361       10.10907
N          7.34688        9.06920       10.51723
H          5.82348        9.23358        9.05634
N          1.57192        8.79991       10.56099
N          1.57455        9.14137       11.90412
N         -0.09771       10.61493        8.19986
N          0.04354       10.61323       14.25027
N          0.11345       16.39388        8.17309
N         -0.21344       16.38901       14.23974
N          7.35323        8.93133       11.87716
C          3.73446        9.00946       11.21122
C         -0.03592       12.77745        7.51400
C         -0.04184       14.23227        7.50177
C          2.85914        8.73176       10.15199
C          2.86434        9.27644       12.29456
C         -0.15056       11.90341        8.61201
C          0.08297       11.90152       13.83300
C          0.22605       15.10659        8.57870
C         -0.29823       15.10277       13.84191
C          6.06859        8.89421       12.30045
H          3.08859        8.48133        9.12052
H         -0.30306       12.12699        9.66184
H          0.19249       12.12932       12.77836
H         -0.54401       14.86673       12.81095
H          5.85320        8.74186       13.35188
Zn        -0.06061        8.96986       13.06661
N          3.19728        9.59616       13.61269
H          4.07318       10.11339       13.66877
H          2.45304       10.11152       14.08553
N          0.53198       14.78443        9.90352
H          1.05937       13.91532        9.96839
H          1.04145       15.53829       10.37095
Zn         8.99105        8.96754        9.35872
C         14.21858        9.01652       11.20965
C         15.08780        9.12361       10.10907
N         16.37584        9.06920       10.51723
H         14.85243        9.23358        9.05634
N         10.60087        8.79991       10.56099
N         10.60350        9.14137       11.90412
N          8.93124       10.61493        8.19986
N          9.07249       10.61323       14.25027
N          9.14240       16.39388        8.17309
N          8.81552       16.38901       14.23974
N         16.38218        8.93133       11.87717
C         12.76341        9.00946       11.21122
C          8.99303       12.77745        7.51400
C          8.98711       14.23227        7.50177
C         11.88810        8.73176       10.15199
C         11.89329        9.27644       12.29456
C          8.87839       11.90341        8.61201
C          9.11193       11.90152       13.83300
C          9.25500       15.10659        8.57870
C          8.73072       15.10277       13.84191
C         15.09755        8.89421       12.30045
H         12.11755        8.48133        9.12052
H          8.72589       12.12699        9.66184
H          9.22144       12.12932       12.77837
H          8.48494       14.86673       12.81095
H         14.88216        8.74186       13.35188
Zn         8.96834        8.96986       13.06661
N         12.22624        9.59616       13.61269
H         13.10213       10.11338       13.66877
H         11.48199       10.11152       14.08553
N          9.56094       14.78444        9.90352
H         10.08832       13.91532        9.96839
H         10.07040       15.53829       10.37095
