REMARK  Name = BDB038877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.648  -0.148   0.729  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -1.785  -0.097  -0.082  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -1.942   0.304  -1.391  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -1.196   0.654  -1.976  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -3.249   0.179  -1.795  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.971  -0.295  -0.702  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -5.358  -0.505  -0.850  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -5.966  -0.236  -2.081  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.216   0.237  -3.155  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.841   0.456  -3.033  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -3.050  -0.455   0.382  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -3.182  -0.872   1.715  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -2.025  -0.880   2.487  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -0.799  -0.529   2.023  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        3.301   0.874  -0.544  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        2.766   1.463   0.602  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        1.478   1.113   1.014  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        0.700   0.199   0.280  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        1.263  -0.374  -0.875  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.553  -0.035  -1.294  0.00  0.00    +0.027 A 
BRANCH  15  21
ATOM     21  S   LIG    1        4.935   1.314  -1.088  0.00  0.00    -0.003 S 
ATOM     22  O   LIG    1        5.310   2.544  -0.416  0.00  0.00    -0.169 OA
ATOM     23  O   LIG    1        4.922   1.247  -2.538  0.00  0.00    -0.169 OA
BRANCH  21  25
ATOM     24  C   LIG    1        6.017  -0.107   1.020  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1        5.976  -0.001  -0.490  0.00  0.00    +0.168 C 
ENDBRANCH  21  25
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH  13  26
ATOM     26  C   LIG    1       -2.065  -1.291   3.928  0.00  0.00    +0.355 C 
ATOM     27  O   LIG    1       -1.131  -1.329   4.708  0.00  0.00    -0.243 OA
BRANCH  26  28
ATOM     28  OXT LIG    1       -3.302  -1.645   4.341  0.00  0.00    -0.476 OA
ATOM     29  HXT LIG    1       -3.160  -1.881   5.283  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  13  26
TORSDOF 5