REMARK  Name = BDB015615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.213   0.210  -0.037  0.00  0.00    +0.148 A 
ATOM      2  C   LIG    1        1.682  -0.882  -0.701  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        2.410  -1.603  -1.791  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1        0.428  -1.260  -0.243  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1       -0.244  -0.577   0.704  0.00  0.00    -0.194 NA
ATOM      6  C   LIG    1        0.360   0.499   1.222  0.00  0.00    +0.326 A 
ATOM      7  N   LIG    1        1.588   0.916   0.910  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.315  -2.424  -0.770  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        0.144  -3.664  -0.529  0.00  0.00    +0.098 A 
ATOM     10  N   LIG    1       -0.511  -4.791  -0.998  0.00  0.00    -0.317 N 
ATOM     11  C   LIG    1        0.057  -6.096  -0.698  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1       -1.694  -4.719  -1.736  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -2.291  -5.698  -2.179  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -2.233  -3.341  -1.976  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.521  -3.239  -2.727  0.00  0.00    +0.049 C 
ATOM     16  C   LIG    1       -1.559  -2.280  -1.503  0.00  0.00    +0.020 A 
ENDBRANCH   4   8
BRANCH   1  17
ATOM     17  N   LIG    1        3.483   0.747  -0.358  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        4.193   0.096  -0.683  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.454   2.111  -1.341  0.00  0.00    +0.044 S 
ATOM     20  O   LIG    1        2.254   2.096  -2.148  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        4.763   2.138  -1.963  0.00  0.00    -0.155 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.378   3.444  -0.143  0.00  0.00    +0.188 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.395   5.937   0.177  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        3.475   4.801  -0.829  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   6  25
ATOM     25  O   LIG    1       -0.292   1.264   2.182  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.668   1.221   2.142  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1       -2.368   2.030   1.227  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.653   2.915   0.246  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -3.767   1.967   1.210  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.451   1.148   2.108  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.748   0.381   3.036  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.348   0.420   3.076  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1       -1.603  -0.426   4.067  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 7