REMARK  Name = BDB001770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.377  -0.353   0.915  0.00  0.00    +0.168 C 
ATOM      2  C   LIG    1        0.802   0.762   1.852  0.00  0.00    +0.042 C 
ATOM      3  C   LIG    1        1.234  -0.651   2.123  0.00  0.00    +0.042 C 
ENDROOT
BRANCH   1   6
ATOM      4  N   LIG    1       -1.843   0.120   0.132  0.00  0.00    -0.284 N 
ATOM      5  H   LIG    1       -1.366   0.861  -0.376  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -1.052  -0.743   0.867  0.00  0.00    +0.245 C 
ATOM      7  O   LIG    1       -1.418  -1.724   1.500  0.00  0.00    -0.273 OA
BRANCH   4  12
ATOM      8  C   LIG    1       -7.491   0.065  -0.824  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.019   0.081  -0.540  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -5.446  -0.885   0.292  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -4.067  -0.895   0.534  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.238   0.055  -0.061  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -3.809   1.014  -0.906  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -5.187   1.025  -1.148  0.00  0.00    +0.005 A 
ENDBRANCH   4  12
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        1.191  -0.334  -0.700  0.00  0.00    +0.011 S 
ATOM     16  O   LIG    1        0.979  -1.634  -1.304  0.00  0.00    -0.168 OA
ATOM     17  O   LIG    1        0.693   0.869  -1.348  0.00  0.00    -0.168 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.942  -0.139  -0.487  0.00  0.00    +0.089 A 
ATOM     19  C   LIG    1        3.515   1.134  -0.545  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        4.897   1.273  -0.407  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.713   0.146  -0.241  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        7.195   0.302  -0.063  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        5.126  -1.126  -0.200  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.745  -1.273  -0.338  0.00  0.00    +0.027 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4