REMARK  Name = BDB015693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.669  -0.357  -0.616  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -1.596  -1.316  -0.642  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.742  -1.017  -0.010  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -3.009   0.143   0.605  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -2.038   1.079   0.595  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.835   0.879  -0.045  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.365   2.354   1.279  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.432   2.985   2.019  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.692   4.177   2.681  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.623   4.787   3.456  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.938   4.798   2.640  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.222   5.855   3.195  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.982   4.091   1.854  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.695   2.944   1.226  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        0.487  -0.728  -1.349  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        0.296  -1.653  -1.742  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        1.922  -0.825  -0.455  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.062  -2.216  -0.087  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.949   0.229   0.536  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.134  -0.447  -1.738  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        2.982   0.983  -2.249  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.568  -0.779  -1.288  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.573  -0.280   0.153  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.146   0.121  -0.192  0.00  0.00    -0.001 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -3.769  -1.951   0.042  0.00  0.00    -0.419 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.501  -3.161  -0.548  0.00  0.00    +0.185 A 
ATOM     27  C   LIG    1       -3.009  -4.235   0.196  0.00  0.00    +0.086 A 
ATOM     28 CL   LIG    1       -2.685  -4.087   1.884  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -2.771  -5.464  -0.427  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -3.037  -5.624  -1.790  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.545  -4.556  -2.529  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -3.778  -3.334  -1.903  0.00  0.00    +0.167 A 
ATOM     33  F   LIG    1       -4.272  -2.319  -2.626  0.00  0.00    -0.202 F 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8