REMARK  Name = BDB001714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.335   0.873  -0.069  0.00  0.00    +0.106 C 
ATOM      2  C   LIG    1        0.572   1.997  -1.030  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        1.188   1.850  -2.080  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -0.079   3.283  -0.740  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.132   3.339   0.164  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.780   4.556   0.410  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -1.364   5.713  -0.252  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.308   5.655  -1.163  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.579   2.118   0.853  0.00  0.00    +0.209 C 
ATOM     10  O   LIG    1       -2.572   2.118   1.577  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1        0.333   4.440  -1.412  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.763   0.861   0.710  0.00  0.00    +0.101 C 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1        3.201   0.945  -0.329  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.576  -0.104  -0.227  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1        1.210  -0.198  -0.018  0.00  0.00    -0.277 N 
ATOM     16  H   LIG    1        0.905  -0.970   0.566  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        3.310  -1.400  -0.182  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.635  -1.407   0.271  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        5.347  -2.606   0.331  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.743  -3.797  -0.072  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.430  -3.792  -0.542  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.713  -2.596  -0.602  0.00  0.00    +0.013 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  N   LIG    1       -1.141  -0.214   1.550  0.00  0.00    -0.335 N 
ATOM     24  H   LIG    1       -1.592   0.231   2.367  0.00  0.00    +0.147 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.071  -1.278   1.111  0.00  0.00    +0.093 C 
ATOM     26  C   LIG    1       -3.438  -0.769   0.664  0.00  0.00    +0.188 C 
ATOM     27  S   LIG    1       -4.167  -2.172  -0.158  0.00  0.00    -0.029 S 
ATOM     28  O   LIG    1       -4.670  -1.749  -1.447  0.00  0.00    -0.174 OA
ATOM     29  O   LIG    1       -4.982  -2.894   0.797  0.00  0.00    -0.174 OA
ATOM     30  C   LIG    1       -2.654  -3.089  -0.405  0.00  0.00    +0.168 C 
ATOM     31  C   LIG    1       -1.532  -2.122  -0.047  0.00  0.00    +0.046 C 
ENDBRANCH  23  25
ENDBRANCH  12  23
TORSDOF 4