REMARK  Name = BDB015506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.617  -0.903  -0.271  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.597   0.352   0.223  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.566   1.014   0.147  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.699   0.528  -0.378  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -1.616  -0.703  -0.881  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -0.488  -1.483  -0.856  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  N   LIG    1        4.292  -1.566  -0.280  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1        4.448  -2.918   0.018  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1        5.537  -3.478   0.113  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        3.182  -3.689   0.237  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.327  -5.139   0.572  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        2.001  -3.056   0.145  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.903  -1.638  -0.168  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        3.049  -0.956  -0.348  0.00  0.00    +0.099 A 
BRANCH   7  15
ATOM     15  C   LIG    1        5.495  -0.752  -0.460  0.00  0.00    +0.153 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.088  -0.283   0.873  0.00  0.00    +0.181 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.758   1.970   0.515  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        7.179   0.621   0.673  0.00  0.00    -0.381 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  N   LIG    1       -2.822  -1.186  -1.433  0.00  0.00    -0.203 N 
ATOM     20  H   LIG    1       -2.749  -1.923  -2.132  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -4.029  -1.559  -0.328  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -3.405  -2.016   0.895  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1       -4.932  -2.429  -1.054  0.00  0.00    -0.155 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.862   0.023  -0.042  0.00  0.00    +0.145 C 
ATOM     25  C   LIG    1       -6.080  -0.195   0.853  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -5.265   0.697  -1.348  0.00  0.00    +0.033 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   3  27
ATOM     27  O   LIG    1       -0.558   2.281   0.720  0.00  0.00    -0.421 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.683   3.038   0.515  0.00  0.00    +0.167 A 
ATOM     29  C   LIG    1       -1.970   3.587  -0.737  0.00  0.00    +0.168 A 
ATOM     30  F   LIG    1       -1.147   3.372  -1.774  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -3.107   4.362  -0.927  0.00  0.00    +0.080 A 
ATOM     32  C   LIG    1       -3.947   4.594   0.155  0.00  0.00    +0.126 A 
ATOM     33  F   LIG    1       -5.049   5.335  -0.015  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -3.663   4.074   1.417  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -2.519   3.297   1.604  0.00  0.00    +0.052 A 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 9