REMARK  Name = BDB015653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.432   0.869  -0.386  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.264  -0.406  -0.740  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.008  -0.807  -0.829  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.085  -0.029  -0.631  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.861   1.248  -0.263  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.414   1.751  -0.113  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.077   2.053   0.010  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.138   3.350  -0.349  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.264   4.131  -0.123  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.239   5.524  -0.542  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.416   3.626   0.476  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.437   4.269   0.699  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.366   2.191   0.855  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.262   1.469   0.625  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.784   1.245  -0.226  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        3.017   2.206  -0.469  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.463   0.870   1.267  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        4.618   1.740   1.360  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.423   0.933   2.271  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.025  -0.839   1.055  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        5.009  -0.967  -0.103  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        5.888  -0.853   2.861  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.563  -1.422   2.373  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       -0.183  -2.123  -1.234  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.380  -2.702  -0.884  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -1.688  -2.939   0.459  0.00  0.00    +0.166 A 
ATOM     27  F   LIG    1       -0.826  -2.585   1.424  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -2.883  -3.551   0.817  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.778  -3.943  -0.177  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -3.468  -3.729  -1.524  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -2.261  -3.116  -1.894  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -1.939  -2.885  -3.342  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7