71
#TiCat2Lip_Penta
Ti         0.41856        1.03943       -0.09570
O         -1.08696        1.42684       -1.15812
O         -0.60081        1.92262        1.20293
C         -1.78437        2.41332        0.78368
C         -4.12467        3.30725       -0.37064
C         -2.67415        3.13251        1.55336
C         -2.05678        2.13673       -0.56331
C         -3.22407        2.58099       -1.14843
C         -3.85611        3.57764        0.96142
H         -2.44449        3.34411        2.58982
H         -3.42111        2.36234       -2.18974
H         -4.56370        4.14866        1.54901
H         -5.04046        3.67278       -0.81859
O          1.97997        1.14599        1.09869
O          1.61726        1.97049       -1.22815
C          3.00326        1.82748        0.60716
C          5.01646        3.22078       -0.71375
C          2.81290        2.28072       -0.71680
C          4.20376        2.07902        1.25617
C          5.20970        2.78043        0.58565
C          3.81028        2.97428       -1.37536
H          4.32758        1.75927        2.28449
H          6.13899        3.00030        1.09681
H          3.64027        3.32371       -2.38582
H          5.79671        3.77685       -1.21760
O          0.44626       -0.83988       -0.32100
P          0.65102       -2.34779       -0.12560
O          1.73417       -2.48524        1.05489
O          1.05320       -3.08099       -1.33084
O         -0.60339       -2.90026        0.64812
C          3.07794       -2.68037        0.68923
H          3.16821       -3.59001        0.09153
H          3.62996       -2.80317        1.62201
C          3.54967       -1.45596       -0.09297
H          3.34430       -0.55401        0.47984
H          3.00218       -1.40399       -1.03365
N          5.00951       -1.44071       -0.46025
C          5.22343       -0.31315       -1.41909
C          5.40040       -2.71773       -1.11688
C          5.85078       -1.19942        0.74463
C         -1.86185       -3.05499       -0.00276
H         -1.72157       -3.54469       -0.96991
H         -2.44598       -3.69776        0.64935
C         -2.57138       -1.71902       -0.22763
H         -2.06447       -1.16051       -1.01563
O         -2.46588       -0.83533        0.88784
C         -2.92495       -1.19279        2.09699
C         -2.70619       -0.09106        3.08744
H         -3.38798        0.72806        2.85174
H         -1.69443        0.30444        3.00253
H         -2.90312       -0.46039        4.08986
O         -3.45306       -2.24725        2.33203
C         -4.00290       -1.96604       -0.65755
H         -4.59330       -2.40078        0.14732
H         -4.01426       -2.65770       -1.50422
O         -4.55520       -0.71586       -1.04961
C         -5.83466       -0.73487       -1.45041
O         -6.48874       -1.73961       -1.51897
C         -6.30884        0.64538       -1.79647
H         -6.11239        1.32333       -0.96622
H         -7.36899        0.61674       -2.03114
H         -5.74803        1.01703       -2.65506
H          4.63578       -0.50207       -2.31414
H          4.90191        0.61521       -0.95341
H          6.28225       -0.26312       -1.66438
H          6.40382       -2.60860       -1.52252
H          5.38657       -3.52271       -0.38724
H          4.69178       -2.93190       -1.91443
H          6.89653       -1.19294        0.44414
H          5.57524       -0.23267        1.16198
H          5.68118       -1.99039        1.46980
