REMARK  Name = BDB007518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.200  -0.139  -1.382  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.224  -1.090  -1.187  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.334  -1.766  -0.444  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.034   0.845  -2.094  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.402   0.684   0.443  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.202   0.807  -0.263  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.470  -0.328  -0.632  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.957  -1.600  -0.316  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        4.157  -1.726   0.384  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.876  -0.589   0.765  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        5.003   1.873   0.743  0.00  0.00    -0.491 OA
BRANCH  11  12
ATOM     12  C   LIG    1        6.229   1.865   1.481  0.00  0.00    +0.244 C 
BRANCH  12  13
ATOM     13  C   LIG    1        7.431   1.700   0.538  0.00  0.00    +0.121 C 
BRANCH  13  15
ATOM     14  C   LIG    1        9.028   0.554   1.965  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1        8.735   1.764   1.209  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1        9.458   1.885   0.498  0.00  0.00    +0.122 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  C   LIG    1       -1.075  -1.033  -1.853  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.965   0.123  -1.350  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.608   1.352  -2.000  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.627   1.369  -2.072  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.460  -0.134  -1.646  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.016  -1.344  -1.008  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.239  -1.173   0.442  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.464  -0.366   0.819  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.535  -0.212  -0.079  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.672   0.510   0.310  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.756   1.056   1.590  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.705   0.890   2.489  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.435  -0.761  -1.479  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.566   0.180   2.107  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.282  -1.763  -1.639  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 10