cell   13.431   13.258    13.905    90.0   103.78   90.0
Ti    22    0.2635   0.4846   0.3115
O     8     0.2393   0.4913   0.1889
N1    7     0.3363   0.3488   0.3496
N2    7     0.1376   0.4166   0.3447
N3    7     0.2077   0.6142   0.3664
N4    7     0.4060   0.5476   0.3710
N5    7     0.1876   0.2394   0.3408
N6    7     0.0348   0.5639   0.3602
N7    7     0.3592   0.7218   0.3883
N8    7     0.5150   0.3986   0.3765
C1    6     0.4393   0.3304   0.3619
C2    6     0.4572   0.2215   0.3613
C3    6     0.5453   0.1641   0.3731
C4    6     0.5342   0.0595   0.3677
C5    6     0.4362   0.0135   0.3525
C6    6     0.3497   0.0718   0.3424
C7    6     0.3597   0.1759   0.3476
C8    6     0.2868   0.2564   0.3433
C9    6     0.1222   0.3126   0.3450
C10   6     0.0163   0.2951   0.3519
C11   6    -0.0399   0.2070   0.3541
C12   6    -0.1427   0.2176   0.3598
C13   6    -0.1883   0.3148   0.3568
C14   6    -0.1305   0.4019   0.3557
C15   6    -0.0286   0.3905   0.3529
C16   6     0.0499   0.4646   0.3515
C17   6     0.1084   0.6316   0.3687
C18   6     0.0931   0.7365   0.3864
C19   6     0.0077   0.7946   0.3912
C20   6     0.0200   0.8974   0.4081
C21   6     0.1186   0.9410   0.4250
C22   6     0.2039   0.8854   0.4313
C23   6     0.1904   0.7826   0.4001
C24   6     0.2603   0.7043   0.3840
C25   6     0.4264   0.6498   0.3831
C26   6     0.5345   0.6667   0.3948
C27   6     0.5940   0.7539   0.4057
C28   6     0.6979   0.7439   0.4161
C29   6     0.7448   0.6485   0.4212
C30   6     0.6868   0.5605   0.4132
C31   6     0.5818   0.5710   0.3975
C32   6     0.4978   0.4972   0.3810
rgnr  14