REMARK  Name = BDB001191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.185   1.987   1.254  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1        0.203   0.994   1.237  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -0.763   0.993   0.222  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.729   1.984  -0.770  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.247   2.984  -0.733  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.203   2.992   0.281  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.777  -0.101   0.216  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -3.016   0.249  -0.282  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -3.159   1.230  -0.523  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.446  -1.192   0.665  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.166  -0.568  -0.442  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -5.364   0.001  -0.934  0.00  0.00    +0.080 A 
ATOM     13  C   LIG    1       -6.512  -0.798  -1.097  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -6.487  -2.163  -0.790  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -7.723  -3.000  -0.933  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -5.306  -2.718  -0.295  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.159  -1.932  -0.130  0.00  0.00    +0.024 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -5.421   1.447  -1.288  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -4.482   2.225  -1.236  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -6.638   1.857  -1.687  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -6.530   2.813  -1.876  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  S   LIG    1        2.412   1.994   2.532  0.00  0.00    +0.084 S 
ATOM     23  O   LIG    1        2.126   0.935   3.480  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1        2.605   3.369   2.955  0.00  0.00    -0.148 OA
BRANCH  22  29
ATOM     25  C   LIG    1        5.825  -0.760  -0.155  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        5.283   0.382   0.484  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        5.696   1.749   0.541  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        4.776   2.441   1.292  0.00  0.00    +0.113 A 
ATOM     29  N   LIG    1        3.839   1.536   1.721  0.00  0.00    -0.218 N 
ATOM     30  C   LIG    1        4.102   0.270   1.233  0.00  0.00    +0.076 A 
ATOM     31  C   LIG    1        3.433  -0.957   1.367  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        3.974  -2.073   0.727  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1        5.147  -1.980  -0.021  0.00  0.00    +0.046 A 
BRANCH  25  35
ATOM     34  C   LIG    1        7.603  -1.737  -1.406  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        6.978  -0.577  -0.873  0.00  0.00    -0.494 OA
ENDBRANCH  25  35
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 7