REMARK  Name = BDB056301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.974  -0.877  -0.476  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.689  -2.240  -0.310  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.616  -2.705  -0.495  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -1.637  -1.806  -0.821  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -1.355  -0.447  -0.997  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.052   0.018  -0.810  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.002  -2.330  -1.048  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1       -4.075  -1.744  -0.379  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -3.968  -1.006   0.873  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -4.878   0.220   0.874  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -6.178   0.031   0.053  0.00  0.00    +0.060 C 
ATOM     12  C   LIG    1       -6.529  -1.466  -0.011  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -5.407  -2.247  -0.698  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1       -3.127  -3.256  -1.847  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  N   LIG    1       -7.267   0.858   0.612  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -6.969   2.296   0.589  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -8.317   2.931   0.886  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -9.341   1.950   0.335  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -8.536   0.739  -0.117  0.00  0.00    +0.085 C 
ENDBRANCH  11  15
ENDBRANCH   4   7
BRANCH   1  22
ATOM     20  N   LIG    1        3.362  -1.154  -0.753  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        3.086  -1.980  -1.268  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.350  -0.338  -0.284  0.00  0.00    +0.248 C 
ATOM     23  O   LIG    1        2.466   0.767   0.232  0.00  0.00    -0.270 OA
BRANCH  20  30
ATOM     24  N   LIG    1        8.908   1.132   0.051  0.00  0.00    -0.294 NA
ATOM     25  C   LIG    1        7.554   1.354   0.611  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.704   0.299  -0.025  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1        7.523  -0.648  -0.632  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1        6.985  -1.748  -1.270  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.591  -1.878  -1.294  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        4.753  -0.922  -0.680  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        5.322   0.177  -0.032  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        8.955  -0.269  -0.424  0.00  0.00    +0.120 C 
BRANCH  24  34
ATOM     33  C   LIG    1       10.045   2.931   1.315  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1        9.992   1.446   0.976  0.00  0.00    +0.082 C 
ENDBRANCH  24  34
ENDBRANCH  20  30
ENDBRANCH   1  22
TORSDOF 5