REMARK  Name = BDB015511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.693  -0.740  -1.486  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.820   0.536  -1.091  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.479   0.756   0.061  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.015  -0.273   0.805  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.849  -1.531   0.277  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -1.208  -1.803  -0.861  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.521   2.168   0.509  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.645   2.683   1.041  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.726   4.000   1.464  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.983   4.471   2.027  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.657   4.891   1.361  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -1.696   6.061   1.732  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.406   4.340   0.747  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        0.748   5.278   0.602  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.379   3.057   0.355  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -2.291  -2.672   0.981  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -3.056  -2.542   1.640  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -1.076  -3.591   1.692  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -1.742  -4.313   2.757  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        0.048  -2.728   1.989  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -0.622  -4.770   0.396  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        0.431  -5.736   0.932  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -1.836  -5.529  -0.127  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        0.026  -1.016  -2.638  0.00  0.00    -0.423 OA
BRANCH  24  30
ATOM     25  C   LIG    1        4.452  -0.354   1.126  0.00  0.00    +0.086 C 
ATOM     26  C   LIG    1        3.659  -0.205  -0.110  0.00  0.00    +0.103 A 
ATOM     27  O   LIG    1        4.204   0.572  -1.087  0.00  0.00    -0.460 OA
ATOM     28  C   LIG    1        3.328   0.578  -2.129  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        2.206  -0.185  -1.825  0.00  0.00    +0.063 A 
ATOM     30  C   LIG    1        1.186  -0.271  -2.799  0.00  0.00    +0.143 A 
ATOM     31  C   LIG    1        1.363   0.366  -4.038  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        2.510   1.119  -4.296  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        3.520   1.247  -3.337  0.00  0.00    +0.047 A 
ATOM     34  C   LIG    1        2.438  -0.699  -0.518  0.00  0.00    +0.056 A 
ENDBRANCH  24  30
ENDBRANCH   1  24
TORSDOF 6