REMARK  Name = BDB015531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.409   1.283   1.048  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.369  -0.018   1.337  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.266  -0.656   0.935  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.753  -0.090   0.268  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.646   1.217  -0.038  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.442   1.966   0.352  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.769   1.813  -0.808  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.007   1.315  -0.630  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.113   1.815  -1.300  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.410   1.214  -1.028  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.028   2.872  -2.203  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.991   3.361  -2.790  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.651   3.409  -2.448  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.526   4.501  -3.461  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.610   2.887  -1.778  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.603   1.923   1.450  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.521   2.903   1.717  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.905   1.724   0.405  0.00  0.00    +0.046 S 
ATOM     19  O   LIG    1        4.819   2.794   0.751  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.408   1.594  -0.947  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.621   0.186   0.957  0.00  0.00    +0.216 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.913  -0.074   0.206  0.00  0.00    +0.184 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.215  -1.326   1.758  0.00  0.00    +0.194 C 
ATOM     24  O   LIG    1        6.466  -1.347   0.549  0.00  0.00    -0.381 OA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1        0.222  -2.007   1.263  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.930  -2.678   0.915  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1       -1.978  -2.772   1.849  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.887  -2.116   3.196  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -3.143  -3.459   1.485  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.246  -4.064   0.232  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -2.184  -3.997  -0.670  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -1.006  -3.319  -0.334  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1        0.121  -3.244  -1.323  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8