REMARK  Name = BDB001654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.026   0.610  -0.401  0.00  0.00    +0.227 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.411  -0.341  -0.007  0.00  0.00    +0.403 C 
ATOM      3  N   LIG    1       -4.054  -0.552   0.122  0.00  0.00    -0.264 N 
ATOM      4  C   LIG    1       -3.218  -0.693  -1.066  0.00  0.00    +0.130 C 
ATOM      5  C   LIG    1       -1.855  -0.010  -0.888  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1       -1.155  -0.406   0.343  0.00  0.00    -0.297 N 
ATOM      7  C   LIG    1        0.179  -0.141   0.627  0.00  0.00    +0.235 C 
ATOM      8  O   LIG    1        0.678  -0.475   1.706  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -1.947  -1.153   1.328  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1       -3.391  -0.645   1.424  0.00  0.00    +0.130 C 
ATOM     11  O   LIG    1       -5.994  -0.274  -1.082  0.00  0.00    -0.226 OA
BRANCH   2  12
ATOM     12  O   LIG    1       -6.023  -0.203   1.201  0.00  0.00    -0.451 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -7.734   1.501   1.023  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -7.440   0.019   1.167  0.00  0.00    +0.230 C 
ENDBRANCH  12  14
ENDBRANCH   2  12
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.203  -0.141  -0.924  0.00  0.00    -0.199 N 
BRANCH  15  16
ATOM     16  C   LIG    1        3.434   0.051  -0.205  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        4.304   1.038  -0.675  0.00  0.00    +0.070 A 
ATOM     18  C   LIG    1        5.501   1.314  -0.008  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        5.816   0.605   1.151  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.935  -0.363   1.640  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        3.742  -0.633   0.969  0.00  0.00    +0.025 A 
BRANCH  18  22
ATOM     22  O   LIG    1        6.265   2.291  -0.586  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1        7.483   2.626   0.068  0.00  0.00    +0.277 C 
ENDBRANCH  18  22
ENDBRANCH  15  16
BRANCH  15  24
ATOM     24  S   LIG    1        1.873  -1.694  -1.526  0.00  0.00    +0.043 S 
ATOM     25  O   LIG    1        0.714  -1.580  -2.389  0.00  0.00    -0.155 OA
ATOM     26  O   LIG    1        1.890  -2.665  -0.455  0.00  0.00    -0.155 OA
ATOM     27  C   LIG    1        3.279  -1.990  -2.581  0.00  0.00    +0.218 C 
ENDBRANCH  15  24
ENDBRANCH   1  15
TORSDOF 7