REMARK  Name = BDB018315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.241   4.069  -0.759  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.526   2.699  -0.363  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.842   2.308  -0.164  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.823   3.032  -0.306  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -4.039   0.897   0.241  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -3.001   0.057   0.427  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.625   0.549   0.208  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.465   1.832  -0.175  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.341  -1.297   0.767  0.00  0.00    +0.020 A 
ATOM     10  S   LIG    1       -4.079  -1.673   2.281  0.00  0.00    -0.097 S 
ATOM     11  C   LIG    1       -4.117  -3.344   1.933  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.579  -3.628   0.699  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.131  -2.453   0.031  0.00  0.00    +0.016 A 
ENDBRANCH   6   9
BRANCH   7  14
ATOM     14  C   LIG    1       -0.479  -0.292   0.404  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        0.571  -0.454  -0.474  0.00  0.00    +0.117 A 
ATOM     16  N   LIG    1        1.444  -1.316   0.133  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1        1.018  -1.742   1.341  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1       -0.148  -1.109   1.505  0.00  0.00    +0.143 A 
BRANCH  16  19
ATOM     19  C   LIG    1        2.701  -1.812  -0.414  0.00  0.00    +0.178 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.751  -0.731  -0.476  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        4.271  -0.177   0.705  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.243   0.823   0.651  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.707   1.278  -0.582  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.201   0.735  -1.761  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.228  -0.265  -1.710  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   7  14
TORSDOF 4