REMARK  Name = BDB033420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.708   0.696   0.892  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.941   0.879  -0.294  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.186  -0.286  -0.487  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.302  -0.432  -1.569  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.241   0.612  -2.500  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -0.973   1.783  -2.328  0.00  0.00    +0.003 A 
ATOM      7  N   LIG    1       -1.504  -1.135   0.554  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.070  -2.043   0.704  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.820   1.931  -1.227  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -2.417  -0.553   1.392  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -4.362   2.385   1.951  0.00  0.00    -0.191 NA
ATOM     12  C   LIG    1       -3.621   1.625   1.482  0.00  0.00    +0.101 C 
ENDBRANCH   1  12
BRANCH   4  13
ATOM     13  N   LIG    1        0.421  -1.620  -1.900  0.00  0.00    -0.212 N 
ATOM     14  H   LIG    1       -0.172  -2.343  -2.310  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        1.415  -2.324  -0.718  0.00  0.00    +0.096 S 
ATOM     16  O   LIG    1        0.536  -2.865   0.304  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1        2.336  -3.197  -1.416  0.00  0.00    -0.148 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.391  -1.052   0.057  0.00  0.00    +0.237 A 
ATOM     19  S   LIG    1        3.594  -0.288  -0.892  0.00  0.00    -0.054 S 
ATOM     20  C   LIG    1        3.964   0.729   0.440  0.00  0.00    +0.083 A 
ATOM     21  C   LIG    1        3.138   0.420   1.499  0.00  0.00    +0.116 A 
ATOM     22 BR   LIG    1        3.205   1.319   3.164  0.00  0.00    -0.028 Br
ATOM     23  N   LIG    1        2.232  -0.594   1.285  0.00  0.00    -0.214 NA
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   4  13
TORSDOF 4