REMARK  Name = BDB000756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.355  -1.712   0.897  0.00  0.00    -0.126 N 
ATOM      2  C   LIG    1       -1.134  -2.956   0.725  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1       -1.130  -0.451   1.801  0.00  0.00    +0.089 S 
ATOM      4  O   LIG    1       -1.705  -1.042   2.994  0.00  0.00    -0.149 OA
ATOM      5  O   LIG    1       -0.204   0.657   1.922  0.00  0.00    -0.149 OA
BRANCH   3   8
ATOM      6  C   LIG    1       -1.179   1.909  -0.433  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1       -2.413   1.082  -0.199  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1       -2.495   0.033   0.739  0.00  0.00    +0.115 A 
ATOM      9  C   LIG    1       -3.710  -0.652   0.933  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -4.831  -0.313   0.168  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1       -4.764   0.715  -0.773  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -3.564   1.407  -0.946  0.00  0.00    +0.007 A 
BRANCH  10  13
ATOM     13  N   LIG    1       -6.087  -1.049   0.353  0.00  0.00    +0.056 N 
ATOM     14  O   LIG    1       -7.111  -0.579  -0.162  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1       -6.043  -2.101   1.004  0.00  0.00    -0.126 OA
ENDBRANCH  10  13
ENDBRANCH   3   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  N   LIG    1        0.435  -1.320  -0.319  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1        1.591  -0.811  -0.023  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.468  -0.350  -1.058  0.00  0.00    +0.086 A 
ATOM     19  N   LIG    1        3.684   0.284  -0.885  0.00  0.00    -0.297 N 
ATOM     20  C   LIG    1        4.182   0.546  -2.161  0.00  0.00    +0.138 A 
ATOM     21  C   LIG    1        5.444   1.198  -2.251  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        6.103   1.540  -1.128  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.553   1.258   0.191  0.00  0.00    +0.035 A 
ATOM     24 BR   LIG    1        6.532   1.772   1.688  0.00  0.00    -0.049 Br
ATOM     25  N   LIG    1        3.361   0.130  -3.098  0.00  0.00    -0.235 NA
ATOM     26  C   LIG    1        4.363   0.640   0.282  0.00  0.00    +0.108 A 
ATOM     27  C   LIG    1        2.302  -0.421  -2.429  0.00  0.00    +0.140 A 
ENDBRANCH  17  18
ENDBRANCH   1  16
TORSDOF 5