REMARK  Name = BDB003531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.525  -1.298   0.330  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.472  -0.088   1.040  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.472   0.859   0.774  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.509   0.578  -0.176  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.467  -0.624  -0.895  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.543  -1.554  -0.640  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.905  -2.145   0.118  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        2.584  -2.283   0.600  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        2.269  -3.415   1.377  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        3.229  -4.385   1.665  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.524  -4.246   1.178  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.859  -3.134   0.405  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.466   0.105   0.296  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1        4.416  -0.757  -0.902  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.440   2.351   1.731  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.941   2.643   2.061  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        1.404   2.179   2.805  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        1.083   3.614   0.666  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.565   1.536  -0.536  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.859   1.300  -0.095  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1       -3.245   0.204   0.786  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -1.227   2.470  -1.256  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.928   2.142  -0.618  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.617   1.428  -1.746  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1       -4.109   1.315  -3.029  0.00  0.00    +0.050 A 
ATOM     26  S   LIG    1       -5.134   0.434  -4.075  0.00  0.00    -0.105 S 
ATOM     27  C   LIG    1       -6.286   0.200  -2.835  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1       -5.892   0.778  -1.648  0.00  0.00    +0.013 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6