REMARK  Name = BDB039716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.835  -0.010   1.829  0.00  0.00    +0.320 C 
ATOM      2  N   LIG    1       -1.624  -1.148   2.035  0.00  0.00    -0.052 NA
ATOM      3  O   LIG    1       -1.241   1.117   2.066  0.00  0.00    -0.263 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1        4.647   0.318  -0.529  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        3.487   0.989  -0.094  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        2.427   0.235   0.416  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        2.428  -1.144   0.514  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        1.172  -1.495   1.078  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.476  -0.314   1.290  0.00  0.00    +0.202 A 
ATOM     10  C   LIG    1        3.562  -1.835   0.074  0.00  0.00    +0.004 A 
ATOM     11  O   LIG    1        1.255   0.740   0.885  0.00  0.00    -0.449 OA
ATOM     12  C   LIG    1        4.642  -1.091  -0.442  0.00  0.00    +0.015 A 
BRANCH   4  14
ATOM     13  C   LIG    1        7.061   0.374  -1.018  0.00  0.00    +0.112 C 
ATOM     14  N   LIG    1        5.744   1.011  -1.067  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1        5.753   2.473  -1.026  0.00  0.00    +0.112 C 
ENDBRANCH   4  14
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  S   LIG    1       -3.160  -1.112   2.660  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -3.097  -0.488   3.963  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1       -3.668  -2.462   2.530  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -4.066  -0.070   1.536  0.00  0.00    +0.127 A 
ATOM     20  C   LIG    1       -4.292  -0.440   0.178  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -5.002   0.482  -0.635  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.249   0.193  -1.987  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.811  -0.997  -2.563  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.123  -1.918  -1.789  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.466   1.693  -0.097  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.243   2.023   1.236  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.868  -1.646  -0.443  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.545   1.145   2.053  0.00  0.00    +0.020 A 
ENDBRANCH  16  19
ENDBRANCH   2  16
TORSDOF 4