REMARK  Name = BDB003238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.540  -0.465   0.382  0.00  0.00    +0.101 A 
ATOM      2  C   LIG    1       -0.230  -0.355   0.922  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.359  -1.569   0.665  0.00  0.00    +0.123 A 
ATOM      4  N   LIG    1       -0.551  -2.321  -0.046  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -1.727  -1.660  -0.193  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        0.323   0.735   1.658  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        1.569   1.231   1.650  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        2.745   0.822   0.829  0.00  0.00    +0.258 C 
ATOM      9  O   LIG    1        2.728  -0.029  -0.048  0.00  0.00    -0.269 OA
ATOM     10  N   LIG    1        3.861   1.574   1.168  0.00  0.00    -0.255 N 
ATOM     11  C   LIG    1        3.678   2.578   2.094  0.00  0.00    +0.121 C 
ATOM     12  S   LIG    1        4.795   3.684   2.650  0.00  0.00    -0.027 S 
ATOM     13  S   LIG    1        2.016   2.567   2.658  0.00  0.00    -0.061 S 
BRANCH  10  14
ATOM     14  C   LIG    1        5.119   1.315   0.458  0.00  0.00    +0.126 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.180   2.051  -0.876  0.00  0.00    +0.140 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.523   1.930  -1.535  0.00  0.00    +0.306 C 
ATOM     17  O   LIG    1        7.028   2.765  -2.267  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1        7.142   0.758  -1.316  0.00  0.00    -0.481 OA
ATOM     19  H   LIG    1        7.962   0.816  -1.853  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   2   6
BRANCH   1  24
ATOM     20  C   LIG    1       -4.583   2.540   0.357  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1       -4.786   1.348   1.060  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -3.808   0.338   1.094  0.00  0.00    -0.038 A 
ATOM     23  C   LIG    1       -4.093  -0.930   1.852  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -2.605   0.536   0.392  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -2.406   1.733  -0.314  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -3.387   2.730  -0.330  0.00  0.00    +0.046 A 
BRANCH  20  28
ATOM     27  C   LIG    1       -5.485   4.635  -0.313  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -5.622   3.426   0.424  0.00  0.00    -0.495 OA
ENDBRANCH  20  28
ENDBRANCH   1  24
BRANCH   4  29
ATOM     29  C   LIG    1       -0.382  -3.632  -0.575  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        0.837  -4.314  -0.456  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        0.973  -5.602  -0.983  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -0.100  -6.214  -1.630  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.313  -5.540  -1.756  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -1.456  -4.254  -1.232  0.00  0.00    +0.028 A 
ENDBRANCH   4  29
TORSDOF 8