REMARK  Name = BDB015675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.036  -0.780  -0.357  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.764   0.143   0.567  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.479   0.226   0.925  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.517  -0.528   0.430  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.192  -1.420  -0.527  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.105  -1.590  -0.959  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.304  -2.224  -1.088  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.288  -2.628  -0.260  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.363  -3.389  -0.698  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.370  -3.786   0.272  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.503  -3.786  -2.025  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.420  -4.470  -2.468  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.437  -3.319  -2.950  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.414  -2.585  -2.494  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.392  -0.814  -0.754  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        3.757  -1.719  -1.045  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.833   0.358  -1.877  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.686   0.617  -2.722  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        5.065  -0.137  -2.456  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.215   1.812  -0.857  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        5.155   1.439   0.291  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        3.901   3.559  -2.711  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.850   2.932  -1.700  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1        0.207   1.155   1.922  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.126   1.406   2.140  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -1.832   0.753   3.158  0.00  0.00    +0.089 A 
ATOM     27 CL   LIG    1       -1.020  -0.416   4.147  0.00  0.00    -0.079 Cl
ATOM     28  C   LIG    1       -3.194   1.044   3.370  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1       -3.995   0.360   4.444  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -3.821   2.004   2.555  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -3.107   2.664   1.554  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.765   2.365   1.357  0.00  0.00    +0.167 A 
ATOM     33  F   LIG    1       -1.088   3.012   0.398  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7