REMARK  Name = BDB003252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.479   0.835   1.508  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -1.401   1.749   1.187  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -2.401   1.355   0.389  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.512   0.105  -0.086  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.601  -0.819   0.265  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.541  -0.469   1.069  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.362   2.269   0.051  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -3.198   3.679   0.335  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -4.444   4.295  -0.296  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -4.670   3.419  -1.521  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -4.287   2.018  -1.040  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  12
ATOM     12  N   LIG    1       -1.733  -2.099  -0.239  0.00  0.00    -0.315 N 
ATOM     13  C   LIG    1       -2.925  -2.425  -1.014  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -2.796  -3.931  -1.218  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -2.204  -4.391   0.104  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -1.233  -3.270   0.479  0.00  0.00    +0.106 C 
ENDBRANCH   5  12
BRANCH   1  17
ATOM     17  N   LIG    1        0.587   1.268   2.329  0.00  0.00    -0.248 N 
ATOM     18  H   LIG    1        0.381   2.243   2.554  0.00  0.00    +0.172 HD
BRANCH  17  20
ATOM     19  C   LIG    1        2.742   0.216   2.178  0.00  0.00    +0.260 C 
ATOM     20  N   LIG    1        1.841   1.146   1.684  0.00  0.00    -0.231 N 
ATOM     21  H   LIG    1        1.875   1.458   0.718  0.00  0.00    +0.173 HD
ATOM     22  O   LIG    1        2.579  -0.449   3.197  0.00  0.00    -0.269 OA
BRANCH  19  27
ATOM     23  C   LIG    1        7.487  -0.751  -1.018  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        6.277  -0.479  -0.174  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        5.635   0.765  -0.234  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.490   1.012   0.529  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        3.963   0.006   1.349  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        4.604  -1.237   1.413  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        5.748  -1.480   0.648  0.00  0.00    +0.004 A 
ENDBRANCH  19  27
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5