REMARK  Name = BDB015716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.531  -1.395  -0.570  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.963  -0.212  -0.101  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.042   0.760   0.053  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.284   0.564  -0.259  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.610  -0.697  -0.691  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.264  -1.686  -0.887  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.531   2.068   0.561  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.775   2.467   0.229  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.309   3.674   0.658  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.657   4.021   0.239  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.599   4.558   1.466  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.012   5.643   1.864  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.237   4.114   1.858  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.753   2.942   1.427  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.914  -1.075  -1.106  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.831  -2.046  -1.419  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.108  -0.991   0.091  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.022  -2.216   0.854  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.062   0.308   0.725  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.577  -1.056  -0.931  0.00  0.00    +0.189 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.843  -1.008  -0.080  0.00  0.00    +0.027 C 
BRANCH  21  22
ATOM     22  C   LIG    1        7.134  -1.190  -0.899  0.00  0.00    -0.016 C 
ATOM     23  C   LIG    1        7.344  -0.064  -1.913  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        8.339  -1.270   0.041  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -2.433  -2.436  -0.752  0.00  0.00    -0.419 OA
BRANCH  25  30
ATOM     26  C   LIG    1       -6.410  -2.421   2.213  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -5.718  -2.118   0.912  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1       -4.360  -2.432   0.702  0.00  0.00    +0.089 A 
ATOM     29 CL   LIG    1       -3.434  -3.201   1.948  0.00  0.00    -0.079 Cl
ATOM     30  C   LIG    1       -3.751  -2.123  -0.520  0.00  0.00    +0.185 A 
ATOM     31  C   LIG    1       -4.497  -1.532  -1.538  0.00  0.00    +0.167 A 
ATOM     32  F   LIG    1       -3.926  -1.254  -2.719  0.00  0.00    -0.202 F 
ATOM     33  C   LIG    1       -5.837  -1.219  -1.348  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.445  -1.508  -0.126  0.00  0.00    +0.008 A 
ENDBRANCH  25  30
ENDBRANCH   1  25
TORSDOF 8