REMARK  Name = BDB015718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.873  -0.263  -0.731  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.153   0.991  -1.112  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.201   1.922  -0.897  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.006   1.617  -0.281  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.165   0.299   0.059  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.751  -0.654  -0.108  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.505   3.309  -1.336  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.782   3.738  -1.296  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.150   5.021  -1.679  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.553   5.392  -1.593  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.226   5.956  -2.134  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.487   7.108  -2.468  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.820   5.482  -2.213  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.500   4.237  -1.838  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.299  -0.195   0.754  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.105  -1.186   0.922  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.772  -0.073  -0.066  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.931  -1.288  -0.833  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.873   1.230  -0.689  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.929  -0.096   1.294  0.00  0.00    +0.189 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.886  -1.393   2.086  0.00  0.00    +0.028 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.887  -1.379   3.205  0.00  0.00    -0.009 C 
ATOM     23  C   LIG    1        6.318  -1.773   2.951  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.420  -2.677   3.750  0.00  0.00    +0.004 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -2.898  -1.179  -0.929  0.00  0.00    -0.420 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -3.961  -2.909   1.060  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -3.047  -3.391  -0.028  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -2.524  -2.501  -0.978  0.00  0.00    +0.170 A 
ATOM     29  C   LIG    1       -1.694  -2.971  -2.000  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -1.234  -2.131  -2.939  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -1.339  -4.313  -2.067  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.830  -5.202  -1.112  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -2.681  -4.744  -0.101  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8