REMARK  Name = BDB013523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.881   0.178   0.201  0.00  0.00    -0.038 A 
ATOM      2  C   LIG    1       -0.773  -0.686   0.291  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.215  -0.747  -0.713  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1        0.095   0.090  -1.839  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        1.139   0.127  -2.919  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -1.005   0.953  -1.932  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.978   0.994  -0.931  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.870   0.224   1.359  0.00  0.00    +0.080 C 
BRANCH   8  11
ATOM      9  N   LIG    1       -6.121  -0.408  -0.221  0.00  0.00    -0.337 N 
ATOM     10  C   LIG    1       -4.782  -0.670  -0.190  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -4.275   0.113   0.832  0.00  0.00    +0.067 A 
ATOM     12  N   LIG    1       -5.310   0.792   1.448  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -6.395   0.476   0.779  0.00  0.00    +0.199 A 
BRANCH   9  15
ATOM     14  C   LIG    1       -7.692  -2.252  -0.661  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -7.079  -0.955  -1.157  0.00  0.00    +0.119 C 
ENDBRANCH   9  15
ENDBRANCH   8  11
BRANCH   8  16
ATOM     16  C   LIG    1       -2.619   1.361   2.352  0.00  0.00    +0.134 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.060   2.737   1.926  0.00  0.00    +0.306 C 
ATOM     18  O   LIG    1       -3.182   3.201   0.807  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -3.266   3.540   2.997  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1       -3.542   4.383   2.585  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        1.370  -1.707  -0.532  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.699  -1.086  -0.291  0.00  0.00    -0.169 NA
ATOM     23  S   LIG    1        2.810  -0.235   1.190  0.00  0.00    +0.065 S 
ATOM     24  O   LIG    1        2.003   0.962   1.129  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        2.594  -1.224   2.231  0.00  0.00    -0.153 OA
ATOM     26  C   LIG    1        4.495   0.290   1.353  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        5.382   0.345   0.282  0.00  0.00    +0.147 A 
ATOM     28  C   LIG    1        6.691   0.790   0.486  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        7.125   1.135   1.767  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.248   1.049   2.847  0.00  0.00    +0.002 A 
ATOM     31  O   LIG    1        5.031   0.055  -1.003  0.00  0.00    -0.486 OA
ATOM     32  C   LIG    1        4.973  -1.362  -1.246  0.00  0.00    +0.186 C 
ATOM     33  C   LIG    1        4.820  -1.531  -2.756  0.00  0.00    +0.053 C 
ATOM     34  C   LIG    1        4.934   0.629   2.642  0.00  0.00    +0.032 A 
ATOM     35  C   LIG    1        3.815  -2.054  -0.498  0.00  0.00    +0.154 C 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8