REMARK  Name = BDB000786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.469  -0.426  -1.532  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.256  -1.355  -0.766  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.187  -0.941   0.191  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.392   0.419   0.409  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -0.701   1.357  -0.352  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.231   0.935  -1.307  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.416  -0.924  -2.446  0.00  0.00    -0.294 N 
ATOM      8  H   LIG    1        1.082  -1.742  -2.946  0.00  0.00    +0.154 HD
BRANCH   7  12
ATOM      9 BR   LIG    1        5.952   2.075  -3.887  0.00  0.00    -0.041 Br
ATOM     10  C   LIG    1        4.447   0.930  -3.668  0.00  0.00    +0.076 A 
ATOM     11  S   LIG    1        3.452   0.910  -2.300  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        2.476  -0.320  -3.033  0.00  0.00    +0.163 A 
ATOM     13  N   LIG    1        2.914  -0.720  -4.211  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1        4.030   0.005  -4.587  0.00  0.00    +0.136 A 
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  O   LIG    1       -2.317   0.895   1.309  0.00  0.00    -0.456 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.276   0.384   2.586  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1       -3.495   0.083   3.183  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1       -3.478  -0.402   4.478  0.00  0.00    +0.114 A 
ATOM     19  N   LIG    1       -2.348  -0.587   5.196  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1       -1.183  -0.261   4.595  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -1.093   0.231   3.305  0.00  0.00    +0.066 A 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4