REMARK  Name = BDB051753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.188  -1.137  -0.183  0.00  0.00    +0.117 A 
ATOM      2  C   LIG    1       -1.349   0.179   0.231  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -0.066   0.796   0.077  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.765  -0.173  -0.467  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        2.104   0.025  -0.790  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.612   1.303  -0.522  0.00  0.00    +0.112 A 
ATOM      7  C   LIG    1        1.816   2.319   0.021  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        0.470   2.075   0.328  0.00  0.00    +0.014 A 
ATOM      9  O   LIG    1        0.086  -1.338  -0.627  0.00  0.00    -0.459 OA
ENDROOT
BRANCH   6  10
ATOM     10  S   LIG    1        4.317   1.629  -0.920  0.00  0.00    +0.074 S 
ATOM     11  O   LIG    1        4.580   0.983  -2.186  0.00  0.00    -0.150 OA
ATOM     12  O   LIG    1        4.550   3.044  -0.723  0.00  0.00    -0.150 OA
BRANCH  10  13
ATOM     13  N   LIG    1        5.079   0.833   0.361  0.00  0.00    -0.194 N 
ATOM     14  H   LIG    1        5.345   1.551   1.037  0.00  0.00    +0.176 HD
BRANCH  13  15
ATOM     15  C   LIG    1        6.312   0.197  -0.060  0.00  0.00    +0.177 A 
ATOM     16  S   LIG    1        6.401  -1.337  -0.805  0.00  0.00    -0.059 S 
ATOM     17  C   LIG    1        8.113  -1.219  -0.782  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        8.486  -0.043  -0.165  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1        7.447   0.755   0.277  0.00  0.00    -0.232 NA
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   6  10
BRANCH   1  21
ATOM     20  C   LIG    1       -2.302  -2.887   1.194  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -2.053  -2.349  -0.206  0.00  0.00    +0.072 C 
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  C   LIG    1       -2.542   0.801   0.778  0.00  0.00    +0.197 C 
ATOM     23  O   LIG    1       -2.495   1.564   1.739  0.00  0.00    -0.287 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -3.863   0.545   0.152  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -4.990   0.470   0.980  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -6.248   0.249   0.418  0.00  0.00    +0.061 A 
ATOM     27 BR   LIG    1       -7.752   0.133   1.565  0.00  0.00    -0.046 Br
ATOM     28  C   LIG    1       -6.391   0.114  -0.967  0.00  0.00    +0.145 A 
ATOM     29  C   LIG    1       -5.266   0.212  -1.791  0.00  0.00    +0.061 A 
ATOM     30 BR   LIG    1       -5.402   0.049  -3.676  0.00  0.00    -0.046 Br
ATOM     31  C   LIG    1       -4.003   0.435  -1.237  0.00  0.00    +0.030 A 
BRANCH  28  32
ATOM     32  O   LIG    1       -7.620  -0.109  -1.528  0.00  0.00    -0.505 OA
ATOM     33  H   LIG    1       -8.284  -0.123  -0.815  0.00  0.00    +0.292 HD
ENDBRANCH  28  32
ENDBRANCH  22  24
ENDBRANCH   2  22
TORSDOF 7