REMARK  Name = BDB003595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887  -0.641  -0.585  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.523   0.559  -0.269  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.915   0.579  -0.082  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -3.688  -0.586  -0.234  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -3.027  -1.778  -0.575  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.642  -1.808  -0.755  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -5.148  -0.558  -0.040  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -6.019  -1.073  -1.015  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -7.404  -1.045  -0.832  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -7.943  -0.502   0.332  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -7.098   0.014   1.311  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.713  -0.014   1.126  0.00  0.00    +0.008 A 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     13  C   LIG    1        0.945  -1.811   1.386  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1        1.383  -1.333   0.081  0.00  0.00    -0.300 N 
ATOM     15  C   LIG    1        0.554  -0.730  -0.857  0.00  0.00    +0.248 C 
ATOM     16  O   LIG    1        0.924  -0.301  -1.947  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.789  -1.530  -0.268  0.00  0.00    +0.111 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.639  -0.247  -0.179  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        5.009  -0.484  -0.848  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.109   0.467  -0.367  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1        5.545   1.786   0.137  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        4.591   1.576   1.312  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        3.828   0.249   1.259  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  15
BRANCH   2  24
ATOM     24  S   LIG    1       -0.607   2.052   0.017  0.00  0.00    -0.005 S 
ATOM     25  O   LIG    1        0.584   1.706   0.767  0.00  0.00    -0.170 OA
ATOM     26  O   LIG    1       -1.543   3.011   0.580  0.00  0.00    -0.170 OA
ATOM     27  C   LIG    1       -0.153   2.662  -1.583  0.00  0.00    +0.200 C 
ENDBRANCH   2  24
TORSDOF 5