  100
 Ti replaced by Ca to avoid Ti-C bonds in chime
Ca     0.000000     0.000000     0.000000
Ca     0.000000     0.000000     3.158403
 O     1.978349     0.000000    -0.079183
 O    -0.049436    -1.455379    -1.363660
 O    -0.323425     1.388860    -1.072480
 O     0.314245     1.149477     1.417124
 O    -0.174121    -1.323695     1.543406
 O     0.176359    -1.447427     4.232699
 O    -0.006221     1.285495     4.2358090
 O     1.616329     0.629975     3.623314
 O    -1.985094     0.025208     3.2173860
 O    -2.158433    -0.118595     0.281959
 O    -3.738223     1.614490    -0.760416
 O     0.606964     3.893437     0.491449
 O    -0.782829     4.676616     2.134101
 O     0.645366    -5.201202     1.373333
 O     2.099959    -4.152466     2.718420
 O     0.236220    -4.282053     4.845055
 O     2.405768    -3.658275     5.227201
 C    -1.331802     2.021460    -0.300662
 H    -1.585549     2.942681    -0.869539
 C    -2.511994     1.085008    -0.300987
 C    -4.644738     0.574931    -1.052915
 H    -4.925879     0.018362    -0.125672
 H    -4.228171    -0.146309    -1.797390
 C    -5.880285     1.209241    -1.657841
 H    -6.634269     0.433313    -1.903076
 H    -5.599962     1.758272    -2.581693
 H    -6.318498     1.936459    -0.946589
 C    -1.115923     2.390550     1.139886
 H    -2.032004     2.490133     1.652048
 C    -0.360737     3.695219     1.216220
 C     0.039834     5.834650     2.232928
 H     0.052251     6.392394     1.265316
 H     1.087869     5.552386     2.495988
 C    -0.538495     6.703138     3.328637
 H     0.083474     7.609876     3.470255
 H    -0.574139     6.127527     4.277640
 H    -1.574751     6.996194     3.059429
 C     0.082885    -2.892959     2.436059
 H    -0.961782    -3.103903     2.728422
 C     1.010009    -4.096460     2.171743
 C     0.977336    -2.420047     3.555552
 H     2.014284    -2.238532     3.212562
 C     1.157227    -3.512316     4.590134
 C     2.532966    -4.772697     6.107790
 H     2.347183    -5.727626     5.559521
 H     1.799651    -4.698279     6.948106
 C     3.948980    -4.762822     6.650703
 H     4.117447    -5.633279     7.317359
 H     4.116722    -3.819054     7.211095
 H     4.660718    -4.792383     5.798544
 C    -2.342940     1.244111     3.5006000
 C    -2.224703    -2.342691    -1.741767
 C    -1.124778    -1.415954    -2.249531
 C     2.047165     2.033966     5.487590
 C     2.432990     0.783731     4.753831
 C    -0.716942    -5.608672     1.410631
 C     2.646037     0.606806    -1.156118
 H    -2.449753    -2.158192    -0.674204
 H    -3.151368    -2.198534    -2.334806
 H    -1.909901    -3.404894    -1.817398
 H    -1.476430    -0.383316    -2.404036
 C    -0.649718    -1.935182    -3.597752
 H    -1.376202    -4.867668     0.904922
 C    -0.810579    -6.940095     0.697456
 C     2.624481     2.133623    -1.048901
 H     3.711550     0.294135    -1.039388
 C     2.223788     0.073406    -2.523877
 H     3.576253     2.558732    -1.431161
 H     1.802892     2.595412    -1.629504
 H     2.510015     2.436682     0.012364
 H    -1.868101    -7.270931     0.630191
 H    -0.374235    -6.845307    -0.317271
 H    -0.220893    -7.695052     1.261052
 H     0.151369    -1.286910    -4.000807
 H    -0.240167    -2.961436    -3.494119
 H    -1.488008    -1.950075    -4.326260
 H     2.247358    -1.036794    -2.522500
 H     1.217302     0.428918    -2.811505
 H     2.937866     0.429573    -3.296560
 H    -1.051335    -5.748587     2.462713
 H    -3.312798     1.000765     3.4879661
 H    -2.221692     1.799509     2.8564041
 C     2.377133    -0.452053     5.671065
 H     2.932977    -0.258422     6.564622
 H     1.358953    -0.663406     5.923135
 H     2.800660    -1.292961     5.162734
 C     3.893162     0.918964     4.283503
 H     4.545043     0.891386     5.131554
 H     4.131688     0.110953     3.623864
 H     4.017290     1.848514     3.768304
 H     2.020054     1.836558     6.538873
 H     1.080716     2.355875     5.160098
 H     2.765524     2.801230     5.287175
 C    -2.027101     1.866661     4.8732900
 C    -1.317563     1.236934     5.7996010
 H    -2.437181     2.874458     5.0228291
 H    -1.092335     1.680904     6.7785561
 H    -0.907480     0.229138     5.6500611
  100
 Ti replaced by Ca to avoid Ti-C bonds in chime
Ca     0.000000     0.000000     0.000000
Ca     0.000000     0.000000     3.158403
 O     1.978349     0.000000    -0.079183
 O    -0.049436    -1.455379    -1.363660
 O    -0.323425     1.388860    -1.072480
 O     0.314245     1.149477     1.417124
 O    -0.174121    -1.323695     1.543406
 O     0.176359    -1.447427     4.232699
 O    -0.206221     1.285495     4.2358090
 O     1.616329     0.629975     3.623314
 O    -2.185094     0.025208     3.2173860
 O    -2.158433    -0.118595     0.281959
 O    -3.738223     1.614490    -0.760416
 O     0.606964     3.893437     0.491449
 O    -0.782829     4.676616     2.134101
 O     0.645366    -5.201202     1.373333
 O     2.099959    -4.152466     2.718420
 O     0.236220    -4.282053     4.845055
 O     2.405768    -3.658275     5.227201
 C    -1.331802     2.021460    -0.300662
 H    -1.585549     2.942681    -0.869539
 C    -2.511994     1.085008    -0.300987
 C    -4.644738     0.574931    -1.052915
 H    -4.925879     0.018362    -0.125672
 H    -4.228171    -0.146309    -1.797390
 C    -5.880285     1.209241    -1.657841
 H    -6.634269     0.433313    -1.903076
 H    -5.599962     1.758272    -2.581693
 H    -6.318498     1.936459    -0.946589
 C    -1.115923     2.390550     1.139886
 H    -2.032004     2.490133     1.652048
 C    -0.360737     3.695219     1.216220
 C     0.039834     5.834650     2.232928
 H     0.052251     6.392394     1.265316
 H     1.087869     5.552386     2.495988
 C    -0.538495     6.703138     3.328637
 H     0.083474     7.609876     3.470255
 H    -0.574139     6.127527     4.277640
 H    -1.574751     6.996194     3.059429
 C     0.082885    -2.892959     2.436059
 H    -0.961782    -3.103903     2.728422
 C     1.010009    -4.096460     2.171743
 C     0.977336    -2.420047     3.555552
 H     2.014284    -2.238532     3.212562
 C     1.157227    -3.512316     4.590134
 C     2.532966    -4.772697     6.107790
 H     2.347183    -5.727626     5.559521
 H     1.799651    -4.698279     6.948106
 C     3.948980    -4.762822     6.650703
 H     4.117447    -5.633279     7.317359
 H     4.116722    -3.819054     7.211095
 H     4.660718    -4.792383     5.798544
 C    -2.542940     1.244111     3.5006000
 C    -2.224703    -2.342691    -1.741767
 C    -1.124778    -1.415954    -2.249531
 C     2.047165     2.033966     5.487590
 C     2.432990     0.783731     4.753831
 C    -0.716942    -5.608672     1.410631
 C     2.646037     0.606806    -1.156118
 H    -2.449753    -2.158192    -0.674204
 H    -3.151368    -2.198534    -2.334806
 H    -1.909901    -3.404894    -1.817398
 H    -1.476430    -0.383316    -2.404036
 C    -0.649718    -1.935182    -3.597752
 H    -1.376202    -4.867668     0.904922
 C    -0.810579    -6.940095     0.697456
 C     2.624481     2.133623    -1.048901
 H     3.711550     0.294135    -1.039388
 C     2.223788     0.073406    -2.523877
 H     3.576253     2.558732    -1.431161
 H     1.802892     2.595412    -1.629504
 H     2.510015     2.436682     0.012364
 H    -1.868101    -7.270931     0.630191
 H    -0.374235    -6.845307    -0.317271
 H    -0.220893    -7.695052     1.261052
 H     0.151369    -1.286910    -4.000807
 H    -0.240167    -2.961436    -3.494119
 H    -1.488008    -1.950075    -4.326260
 H     2.247358    -1.036794    -2.522500
 H     1.217302     0.428918    -2.811505
 H     2.937866     0.429573    -3.296560
 H    -1.051335    -5.748587     2.462713
 H    -3.512798     1.000765     3.4879661
 H    -2.421692     1.799509     2.8564041
 C     2.377133    -0.452053     5.671065
 H     2.932977    -0.258422     6.564622
 H     1.358953    -0.663406     5.923135
 H     2.800660    -1.292961     5.162734
 C     3.893162     0.918964     4.283503
 H     4.545043     0.891386     5.131554
 H     4.131688     0.110953     3.623864
 H     4.017290     1.848514     3.768304
 H     2.020054     1.836558     6.538873
 H     1.080716     2.355875     5.160098
 H     2.765524     2.801230     5.287175
 C    -2.227101     1.866661     4.8732900
 C    -1.517563     1.236934     5.7996010
 H    -2.637181     2.874458     5.0228291
 H    -1.292335     1.680904     6.7785561
 H    -1.107480     0.229138     5.6500611
  100
 Ti replaced by Ca to avoid Ti-C bonds in chime
Ca     0.000000     0.000000     0.000000
Ca     0.000000     0.000000     3.158403
 O     1.978349     0.000000    -0.079183
 O    -0.049436    -1.455379    -1.363660
 O    -0.323425     1.388860    -1.072480
 O     0.314245     1.149477     1.417124
 O    -0.174121    -1.323695     1.543406
 O     0.176359    -1.447427     4.232699
 O    -0.406221     1.285495     4.2358090
 O     1.616329     0.629975     3.623314
 O    -2.385094     0.025208     3.2173860
 O    -2.158433    -0.118595     0.281959
 O    -3.738223     1.614490    -0.760416
 O     0.606964     3.893437     0.491449
 O    -0.782829     4.676616     2.134101
 O     0.645366    -5.201202     1.373333
 O     2.099959    -4.152466     2.718420
 O     0.236220    -4.282053     4.845055
 O     2.405768    -3.658275     5.227201
 C    -1.331802     2.021460    -0.300662
 H    -1.585549     2.942681    -0.869539
 C    -2.511994     1.085008    -0.300987
 C    -4.644738     0.574931    -1.052915
 H    -4.925879     0.018362    -0.125672
 H    -4.228171    -0.146309    -1.797390
 C    -5.880285     1.209241    -1.657841
 H    -6.634269     0.433313    -1.903076
 H    -5.599962     1.758272    -2.581693
 H    -6.318498     1.936459    -0.946589
 C    -1.115923     2.390550     1.139886
 H    -2.032004     2.490133     1.652048
 C    -0.360737     3.695219     1.216220
 C     0.039834     5.834650     2.232928
 H     0.052251     6.392394     1.265316
 H     1.087869     5.552386     2.495988
 C    -0.538495     6.703138     3.328637
 H     0.083474     7.609876     3.470255
 H    -0.574139     6.127527     4.277640
 H    -1.574751     6.996194     3.059429
 C     0.082885    -2.892959     2.436059
 H    -0.961782    -3.103903     2.728422
 C     1.010009    -4.096460     2.171743
 C     0.977336    -2.420047     3.555552
 H     2.014284    -2.238532     3.212562
 C     1.157227    -3.512316     4.590134
 C     2.532966    -4.772697     6.107790
 H     2.347183    -5.727626     5.559521
 H     1.799651    -4.698279     6.948106
 C     3.948980    -4.762822     6.650703
 H     4.117447    -5.633279     7.317359
 H     4.116722    -3.819054     7.211095
 H     4.660718    -4.792383     5.798544
 C    -2.742940     1.244111     3.5006000
 C    -2.224703    -2.342691    -1.741767
 C    -1.124778    -1.415954    -2.249531
 C     2.047165     2.033966     5.487590
 C     2.432990     0.783731     4.753831
 C    -0.716942    -5.608672     1.410631
 C     2.646037     0.606806    -1.156118
 H    -2.449753    -2.158192    -0.674204
 H    -3.151368    -2.198534    -2.334806
 H    -1.909901    -3.404894    -1.817398
 H    -1.476430    -0.383316    -2.404036
 C    -0.649718    -1.935182    -3.597752
 H    -1.376202    -4.867668     0.904922
 C    -0.810579    -6.940095     0.697456
 C     2.624481     2.133623    -1.048901
 H     3.711550     0.294135    -1.039388
 C     2.223788     0.073406    -2.523877
 H     3.576253     2.558732    -1.431161
 H     1.802892     2.595412    -1.629504
 H     2.510015     2.436682     0.012364
 H    -1.868101    -7.270931     0.630191
 H    -0.374235    -6.845307    -0.317271
 H    -0.220893    -7.695052     1.261052
 H     0.151369    -1.286910    -4.000807
 H    -0.240167    -2.961436    -3.494119
 H    -1.488008    -1.950075    -4.326260
 H     2.247358    -1.036794    -2.522500
 H     1.217302     0.428918    -2.811505
 H     2.937866     0.429573    -3.296560
 H    -1.051335    -5.748587     2.462713
 H    -3.712798     1.000765     3.4879661
 H    -2.621692     1.799509     2.8564041
 C     2.377133    -0.452053     5.671065
 H     2.932977    -0.258422     6.564622
 H     1.358953    -0.663406     5.923135
 H     2.800660    -1.292961     5.162734
 C     3.893162     0.918964     4.283503
 H     4.545043     0.891386     5.131554
 H     4.131688     0.110953     3.623864
 H     4.017290     1.848514     3.768304
 H     2.020054     1.836558     6.538873
 H     1.080716     2.355875     5.160098
 H     2.765524     2.801230     5.287175
 C    -2.427101     1.866661     4.8732900
 C    -1.717563     1.236934     5.7996010
 H    -3.037181     2.874458     5.0228291
 H    -1.492335     1.680904     6.7785561
 H    -1.307480     0.229138     5.6500611
  100
 Ti replaced by Ca to avoid Ti-C bonds in chime
Ca     0.000000     0.000000     0.000000
Ca     0.000000     0.000000     3.158403
 O     1.978349     0.000000    -0.079183
 O    -0.049436    -1.455379    -1.363660
 O    -0.323425     1.388860    -1.072480
 O     0.314245     1.149477     1.417124
 O    -0.174121    -1.323695     1.543406
 O     0.176359    -1.447427     4.232699
 O    -0.806221     1.285495     4.2358090
 O     1.616329     0.629975     3.623314
 O    -2.785094     0.025208     3.2173860
 O    -2.158433    -0.118595     0.281959
 O    -3.738223     1.614490    -0.760416
 O     0.606964     3.893437     0.491449
 O    -0.782829     4.676616     2.134101
 O     0.645366    -5.201202     1.373333
 O     2.099959    -4.152466     2.718420
 O     0.236220    -4.282053     4.845055
 O     2.405768    -3.658275     5.227201
 C    -1.331802     2.021460    -0.300662
 H    -1.585549     2.942681    -0.869539
 C    -2.511994     1.085008    -0.300987
 C    -4.644738     0.574931    -1.052915
 H    -4.925879     0.018362    -0.125672
 H    -4.228171    -0.146309    -1.797390
 C    -5.880285     1.209241    -1.657841
 H    -6.634269     0.433313    -1.903076
 H    -5.599962     1.758272    -2.581693
 H    -6.318498     1.936459    -0.946589
 C    -1.115923     2.390550     1.139886
 H    -2.032004     2.490133     1.652048
 C    -0.360737     3.695219     1.216220
 C     0.039834     5.834650     2.232928
 H     0.052251     6.392394     1.265316
 H     1.087869     5.552386     2.495988
 C    -0.538495     6.703138     3.328637
 H     0.083474     7.609876     3.470255
 H    -0.574139     6.127527     4.277640
 H    -1.574751     6.996194     3.059429
 C     0.082885    -2.892959     2.436059
 H    -0.961782    -3.103903     2.728422
 C     1.010009    -4.096460     2.171743
 C     0.977336    -2.420047     3.555552
 H     2.014284    -2.238532     3.212562
 C     1.157227    -3.512316     4.590134
 C     2.532966    -4.772697     6.107790
 H     2.347183    -5.727626     5.559521
 H     1.799651    -4.698279     6.948106
 C     3.948980    -4.762822     6.650703
 H     4.117447    -5.633279     7.317359
 H     4.116722    -3.819054     7.211095
 H     4.660718    -4.792383     5.798544
 C    -3.142940     1.244111     3.5006000
 C    -2.224703    -2.342691    -1.741767
 C    -1.124778    -1.415954    -2.249531
 C     2.047165     2.033966     5.487590
 C     2.432990     0.783731     4.753831
 C    -0.716942    -5.608672     1.410631
 C     2.646037     0.606806    -1.156118
 H    -2.449753    -2.158192    -0.674204
 H    -3.151368    -2.198534    -2.334806
 H    -1.909901    -3.404894    -1.817398
 H    -1.476430    -0.383316    -2.404036
 C    -0.649718    -1.935182    -3.597752
 H    -1.376202    -4.867668     0.904922
 C    -0.810579    -6.940095     0.697456
 C     2.624481     2.133623    -1.048901
 H     3.711550     0.294135    -1.039388
 C     2.223788     0.073406    -2.523877
 H     3.576253     2.558732    -1.431161
 H     1.802892     2.595412    -1.629504
 H     2.510015     2.436682     0.012364
 H    -1.868101    -7.270931     0.630191
 H    -0.374235    -6.845307    -0.317271
 H    -0.220893    -7.695052     1.261052
 H     0.151369    -1.286910    -4.000807
 H    -0.240167    -2.961436    -3.494119
 H    -1.488008    -1.950075    -4.326260
 H     2.247358    -1.036794    -2.522500
 H     1.217302     0.428918    -2.811505
 H     2.937866     0.429573    -3.296560
 H    -1.051335    -5.748587     2.462713
 H    -4.112798     1.000765     3.4879661
 H    -3.021692     1.799509     2.8564041
 C     2.377133    -0.452053     5.671065
 H     2.932977    -0.258422     6.564622
 H     1.358953    -0.663406     5.923135
 H     2.800660    -1.292961     5.162734
 C     3.893162     0.918964     4.283503
 H     4.545043     0.891386     5.131554
 H     4.131688     0.110953     3.623864
 H     4.017290     1.848514     3.768304
 H     2.020054     1.836558     6.538873
 H     1.080716     2.355875     5.160098
 H     2.765524     2.801230     5.287175
 C    -2.827101     1.866661     4.8732900
 C    -2.117563     1.236934     5.7996010
 H    -3.237181     2.874458     5.0228291
 H    -1.892335     1.680904     6.7785561
 H    -1.707480     0.229138     5.6500611
  100
 Ti replaced by Ca to avoid Ti-C bonds in chime
Ca     0.000000     0.000000     0.000000
Ca     0.000000     0.000000     3.158403
 O     1.978349     0.000000    -0.079183
 O    -0.049436    -1.455379    -1.363660
 O    -0.323425     1.388860    -1.072480
 O     0.314245     1.149477     1.417124
 O    -0.174121    -1.323695     1.543406
 O     0.176359    -1.447427     4.232699
 O    -1.206221     1.285495     4.2358090
 O     1.616329     0.629975     3.623314
 O    -3.185094     0.025208     3.2173860
 O    -2.158433    -0.118595     0.281959
 O    -3.738223     1.614490    -0.760416
 O     0.606964     3.893437     0.491449
 O    -0.782829     4.676616     2.134101
 O     0.645366    -5.201202     1.373333
 O     2.099959    -4.152466     2.718420
 O     0.236220    -4.282053     4.845055
 O     2.405768    -3.658275     5.227201
 C    -1.331802     2.021460    -0.300662
 H    -1.585549     2.942681    -0.869539
 C    -2.511994     1.085008    -0.300987
 C    -4.644738     0.574931    -1.052915
 H    -4.925879     0.018362    -0.125672
 H    -4.228171    -0.146309    -1.797390
 C    -5.880285     1.209241    -1.657841
 H    -6.634269     0.433313    -1.903076
 H    -5.599962     1.758272    -2.581693
 H    -6.318498     1.936459    -0.946589
 C    -1.115923     2.390550     1.139886
 H    -2.032004     2.490133     1.652048
 C    -0.360737     3.695219     1.216220
 C     0.039834     5.834650     2.232928
 H     0.052251     6.392394     1.265316
 H     1.087869     5.552386     2.495988
 C    -0.538495     6.703138     3.328637
 H     0.083474     7.609876     3.470255
 H    -0.574139     6.127527     4.277640
 H    -1.574751     6.996194     3.059429
 C     0.082885    -2.892959     2.436059
 H    -0.961782    -3.103903     2.728422
 C     1.010009    -4.096460     2.171743
 C     0.977336    -2.420047     3.555552
 H     2.014284    -2.238532     3.212562
 C     1.157227    -3.512316     4.590134
 C     2.532966    -4.772697     6.107790
 H     2.347183    -5.727626     5.559521
 H     1.799651    -4.698279     6.948106
 C     3.948980    -4.762822     6.650703
 H     4.117447    -5.633279     7.317359
 H     4.116722    -3.819054     7.211095
 H     4.660718    -4.792383     5.798544
 C    -3.542940     1.244111     3.5006000
 C    -2.224703    -2.342691    -1.741767
 C    -1.124778    -1.415954    -2.249531
 C     2.047165     2.033966     5.487590
 C     2.432990     0.783731     4.753831
 C    -0.716942    -5.608672     1.410631
 C     2.646037     0.606806    -1.156118
 H    -2.449753    -2.158192    -0.674204
 H    -3.151368    -2.198534    -2.334806
 H    -1.909901    -3.404894    -1.817398
 H    -1.476430    -0.383316    -2.404036
 C    -0.649718    -1.935182    -3.597752
 H    -1.376202    -4.867668     0.904922
 C    -0.810579    -6.940095     0.697456
 C     2.624481     2.133623    -1.048901
 H     3.711550     0.294135    -1.039388
 C     2.223788     0.073406    -2.523877
 H     3.576253     2.558732    -1.431161
 H     1.802892     2.595412    -1.629504
 H     2.510015     2.436682     0.012364
 H    -1.868101    -7.270931     0.630191
 H    -0.374235    -6.845307    -0.317271
 H    -0.220893    -7.695052     1.261052
 H     0.151369    -1.286910    -4.000807
 H    -0.240167    -2.961436    -3.494119
 H    -1.488008    -1.950075    -4.326260
 H     2.247358    -1.036794    -2.522500
 H     1.217302     0.428918    -2.811505
 H     2.937866     0.429573    -3.296560
 H    -1.051335    -5.748587     2.462713
 H    -4.512798     1.000765     3.4879661
 H    -3.421692     1.799509     2.8564041
 C     2.377133    -0.452053     5.671065
 H     2.932977    -0.258422     6.564622
 H     1.358953    -0.663406     5.923135
 H     2.800660    -1.292961     5.162734
 C     3.893162     0.918964     4.283503
 H     4.545043     0.891386     5.131554
 H     4.131688     0.110953     3.623864
 H     4.017290     1.848514     3.768304
 H     2.020054     1.836558     6.538873
 H     1.080716     2.355875     5.160098
 H     2.765524     2.801230     5.287175
 C    -3.227101     1.866661     4.8732900
 C    -2.517563     1.236934     5.7996010
 H    -3.637181     2.874458     5.0228291
 H    -2.292335     1.680904     6.7785561
 H    -2.107480     0.229138     5.6500611
  100
 Ti replaced by Ca to avoid Ti-C bonds in chime
Ca     0.000000     0.000000     0.000000
Ca     0.000000     0.000000     3.158403
 O     1.978349     0.000000    -0.079183
 O    -0.049436    -1.455379    -1.363660
 O    -0.323425     1.388860    -1.072480
 O     0.314245     1.149477     1.417124
 O    -0.174121    -1.323695     1.543406
 O     0.176359    -1.447427     4.232699
 O    -2.706221     1.585495     4.4358090
 O     1.616329     0.629975     3.623314
 O    -4.385094     0.025208     3.2173860
 O    -2.158433    -0.118595     0.281959
 O    -3.738223     1.614490    -0.760416
 O     0.606964     3.893437     0.491449
 O    -0.782829     4.676616     2.134101
 O     0.645366    -5.201202     1.373333
 O     2.099959    -4.152466     2.718420
 O     0.236220    -4.282053     4.845055
 O     2.405768    -3.658275     5.227201
 C    -1.331802     2.021460    -0.300662
 H    -1.585549     2.942681    -0.869539
 C    -2.511994     1.085008    -0.300987
 C    -4.644738     0.574931    -1.052915
 H    -4.925879     0.018362    -0.125672
 H    -4.228171    -0.146309    -1.797390
 C    -5.880285     1.209241    -1.657841
 H    -6.634269     0.433313    -1.903076
 H    -5.599962     1.758272    -2.581693
 H    -6.318498     1.936459    -0.946589
 C    -1.115923     2.390550     1.139886
 H    -2.032004     2.490133     1.652048
 C    -0.360737     3.695219     1.216220
 C     0.039834     5.834650     2.232928
 H     0.052251     6.392394     1.265316
 H     1.087869     5.552386     2.495988
 C    -0.538495     6.703138     3.328637
 H     0.083474     7.609876     3.470255
 H    -0.574139     6.127527     4.277640
 H    -1.574751     6.996194     3.059429
 C     0.082885    -2.892959     2.436059
 H    -0.961782    -3.103903     2.728422
 C     1.010009    -4.096460     2.171743
 C     0.977336    -2.420047     3.555552
 H     2.014284    -2.238532     3.212562
 C     1.157227    -3.512316     4.590134
 C     2.532966    -4.772697     6.107790
 H     2.347183    -5.727626     5.559521
 H     1.799651    -4.698279     6.948106
 C     3.948980    -4.762822     6.650703
 H     4.117447    -5.633279     7.317359
 H     4.116722    -3.819054     7.211095
 H     4.660718    -4.792383     5.798544
 C    -4.742940     1.244111     3.5006000
 C    -2.224703    -2.342691    -1.741767
 C    -1.124778    -1.415954    -2.249531
 C     2.047165     2.033966     5.487590
 C     2.432990     0.783731     4.753831
 C    -0.716942    -5.608672     1.410631
 C     2.646037     0.606806    -1.156118
 H    -2.449753    -2.158192    -0.674204
 H    -3.151368    -2.198534    -2.334806
 H    -1.909901    -3.404894    -1.817398
 H    -1.476430    -0.383316    -2.404036
 C    -0.649718    -1.935182    -3.597752
 H    -1.376202    -4.867668     0.904922
 C    -0.810579    -6.940095     0.697456
 C     2.624481     2.133623    -1.048901
 H     3.711550     0.294135    -1.039388
 C     2.223788     0.073406    -2.523877
 H     3.576253     2.558732    -1.431161
 H     1.802892     2.595412    -1.629504
 H     2.510015     2.436682     0.012364
 H    -1.868101    -7.270931     0.630191
 H    -0.374235    -6.845307    -0.317271
 H    -0.220893    -7.695052     1.261052
 H     0.151369    -1.286910    -4.000807
 H    -0.240167    -2.961436    -3.494119
 H    -1.488008    -1.950075    -4.326260
 H     2.247358    -1.036794    -2.522500
 H     1.217302     0.428918    -2.811505
 H     2.937866     0.429573    -3.296560
 H    -1.051335    -5.748587     2.462713
 H    -5.712798     1.000765     3.4879661
 H    -4.421692     1.799509     2.8564041
 C     2.377133    -0.452053     5.671065
 H     2.932977    -0.258422     6.564622
 H     1.358953    -0.663406     5.923135
 H     2.800660    -1.292961     5.162734
 C     3.893162     0.918964     4.283503
 H     4.545043     0.891386     5.131554
 H     4.131688     0.110953     3.623864
 H     4.017290     1.848514     3.768304
 H     2.020054     1.836558     6.538873
 H     1.080716     2.355875     5.160098
 H     2.765524     2.801230     5.287175
 C    -4.427101     1.866661     4.8732900
 C    -3.717563     1.236934     5.7996010
 H    -4.837181     2.874458     5.0228291
 H    -3.492335     1.680904     6.7785561
 H    -3.307480     0.229138     5.6500611
