81
#TiCat2Lip_Penta_DMSO_Cis_II
Ti        -0.55080        0.87244        0.18562
O          0.07635        2.67031       -0.19622
O          0.89718        0.47491       -0.99550
C          1.51064        1.51452       -1.56777
C          2.61523        3.85689       -2.54190
C          2.51042        1.44317       -2.51832
C          1.04728        2.75910       -1.10612
C          1.60428        3.93208       -1.58413
C          3.05827        2.62940       -3.00719
H          2.85218        0.47667       -2.86631
H          1.23801        4.88637       -1.22594
H          3.83282        2.58739       -3.76331
H          3.04814        4.76950       -2.93196
O         -1.86363        0.85504       -1.22152
O         -2.10106        1.59312        1.14900
C         -3.00778        1.47552       -0.95788
C         -5.33659        2.73168       -0.12112
C         -3.14661        1.88467        0.38707
C         -4.02514        1.70339       -1.86962
C         -5.19454        2.33932       -1.44233
C         -4.31236        2.50729        0.80215
H         -3.88816        1.41095       -2.90409
H         -5.98470        2.54152       -2.15480
H         -4.41138        2.82174        1.83413
H         -6.24131        3.23417        0.19789
O         -0.68926       -1.02567        0.65395
P         -0.85877       -2.52543        0.46644
O         -1.35877       -2.75227       -1.05121
O         -1.78161       -3.19152        1.40110
O          0.58021       -3.16803        0.37707
C         -2.73543       -2.94574       -1.26018
H         -3.05630       -3.85618       -0.74986
H         -2.86135       -3.08635       -2.33341
C         -3.53805       -1.72923       -0.77812
H         -3.70307       -1.01048       -1.57688
H         -2.99509       -1.21139        0.00678
N         -4.89415       -2.03974       -0.19381
C         -5.43242       -0.76462        0.37165
C         -4.80918       -3.04462        0.91180
C         -5.80471       -2.52649       -1.25970
C          1.69810       -2.56588        1.02824
H          1.36155       -1.78953        1.71798
H          2.20107       -3.34455        1.59652
C          2.63650       -1.93762        0.01152
H          2.03510       -1.47431       -0.76858
O          3.41389       -2.91290       -0.70063
C          4.35656       -3.62131       -0.07422
C          5.05784       -4.53462       -1.03982
H          5.55410       -3.93965       -1.80721
H          4.33046       -5.17473       -1.53912
H          5.78726       -5.13730       -0.50632
O          4.60995       -3.53942        1.09919
C          3.45906       -0.84557        0.66685
H          4.00418       -1.19737        1.54116
H          2.76829       -0.05427        0.96148
O          4.38146       -0.34310       -0.29749
C          5.03935        0.76672        0.04213
O          4.90783        1.31560        1.10674
C          5.92405        1.25227       -1.06467
H          6.29410        0.42615       -1.66812
H          6.74550        1.82835       -0.64637
H          5.32287        1.90392       -1.70273
H         -4.79116       -0.45380        1.19212
H         -5.42659        0.00596       -0.39691
H         -6.44512       -0.94400        0.72698
H         -5.73201       -2.98997        1.48500
H         -4.69991       -4.04062        0.49402
H         -3.93233       -2.82840        1.52159
H         -6.77163       -2.76373       -0.82040
H         -5.91678       -1.74468       -2.00806
H         -5.37926       -3.41901       -1.71313
S          0.91910        2.08203        2.95898
C         -0.29996        3.38505        2.86290
H         -0.39588        3.71182        1.82882
H          0.03589        4.18690        3.52122
H         -1.24221        2.96824        3.21054
C          2.28644        2.91353        2.17048
H          1.97953        3.29541        1.19923
H          3.09907        2.19525        2.06185
H          2.60044        3.72095        2.83324
O          0.47354        0.98256        2.01494
