REMARK  Name = BDB021958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.425   0.033  -0.854  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.593  -0.240  -0.132  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.131  -1.489  -0.364  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.003  -1.819  -1.311  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.106   0.584   0.619  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.170   1.389  -0.786  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -0.764   2.475  -1.337  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -0.057   3.826  -1.370  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        0.560   4.177  -0.090  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        0.839   5.497   0.266  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1        1.657   5.797   1.136  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        0.080   6.580  -0.460  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        1.373   3.141   0.547  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        0.667   1.790   0.607  0.00  0.00    +0.041 C 
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -3.135  -2.141   0.395  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -3.827  -3.244  -0.146  0.00  0.00    +0.076 A 
ATOM     17  C   LIG    1       -4.804  -3.897   0.638  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1       -5.086  -3.477   1.935  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.391  -2.401   2.470  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.421  -1.744   1.709  0.00  0.00    +0.024 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -3.594  -3.781  -1.534  0.00  0.00    +0.419 C 
ATOM     22  F   LIG    1       -3.186  -5.081  -1.530  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -2.642  -3.105  -2.245  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -4.715  -3.746  -2.306  0.00  0.00    -0.166 F 
ENDBRANCH  16  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1        0.425  -1.011  -1.450  0.00  0.00    +0.144 C 
BRANCH  25  29
ATOM     26  C   LIG    1        3.777  -2.097   1.068  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        3.991  -1.435  -0.140  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        2.907  -1.087  -0.955  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        1.594  -1.395  -0.573  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        1.387  -2.064   0.640  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        2.471  -2.410   1.450  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        6.086  -2.159   1.630  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        4.742  -2.492   1.953  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH   1  25
TORSDOF 6