REMARK  Name = BDB003580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.679   1.597  -0.748  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.607   0.350  -1.394  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.517  -0.509  -1.190  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.469  -0.109  -0.363  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.528   1.126   0.295  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.623   1.971   0.099  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.145   2.127  -0.602  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -3.832   2.492  -0.957  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.626   3.756  -1.534  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -4.710   4.594  -1.734  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -5.973   4.270  -1.402  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1       -6.160   3.049  -0.846  0.00  0.00    +0.156 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.644   0.511   0.309  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -5.316   0.894  -0.029  0.00  0.00    -0.493 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -1.469  -2.045  -2.076  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.107  -2.262  -2.524  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -2.537  -1.995  -3.060  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -1.917  -3.290  -0.897  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        0.677  -0.976  -0.053  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        1.914  -0.686  -0.620  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1        2.106   0.217  -1.749  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        0.466  -1.887   0.742  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.031  -1.573  -0.298  0.00  0.00    +0.111 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.646  -1.286   1.086  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        4.672  -2.380   1.441  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.723  -1.938   2.462  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        5.210  -0.829   3.368  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        4.815   0.413   2.569  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        4.291   0.103   1.164  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6