REMARK  Name = BDB055796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.469   1.521  -0.896  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.525   2.280  -0.266  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.825   1.785  -0.128  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        2.128   0.505  -0.591  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        1.149  -0.260  -1.218  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.152   0.239  -1.352  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.783   2.075  -0.915  0.00  0.00    -0.216 N 
ATOM      8  H   LIG    1       -1.901   3.056  -0.664  0.00  0.00    +0.174 HD
BRANCH   7  10
ATOM      9  O   LIG    1       -2.467   1.096  -3.150  0.00  0.00    -0.150 OA
ATOM     10  S   LIG    1       -3.035   1.531  -1.894  0.00  0.00    +0.074 S 
ATOM     11  O   LIG    1       -4.042   2.569  -1.821  0.00  0.00    -0.150 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -3.713   0.126  -1.050  0.00  0.00    +0.127 A 
ATOM     13  C   LIG    1       -4.613  -0.721  -1.707  0.00  0.00    +0.069 A 
ATOM     14 CL   LIG    1       -5.178  -0.459  -3.317  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -5.128  -1.838  -1.039  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -4.754  -2.100   0.278  0.00  0.00    +0.042 A 
ATOM     17 CL   LIG    1       -5.392  -3.474   1.091  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -3.874  -1.251   0.943  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -3.355  -0.135   0.283  0.00  0.00    +0.032 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        3.394  -0.023  -0.514  0.00  0.00    -0.454 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.994  -0.043   0.721  0.00  0.00    +0.148 A 
ATOM     22  C   LIG    1        5.360   0.221   0.773  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        6.010   0.179   2.001  0.00  0.00    +0.063 A 
ATOM     24 CL   LIG    1        7.690   0.514   2.111  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.272  -0.138   3.133  0.00  0.00    +0.131 A 
ATOM     26  N   LIG    1        3.946  -0.418   3.114  0.00  0.00    -0.258 NA
ATOM     27  C   LIG    1        3.339  -0.375   1.904  0.00  0.00    +0.157 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5