REMARK  Name = BDB015701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.853  -1.373   0.240  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.467  -1.526   0.016  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        1.215  -0.416   0.006  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1        0.768   0.825   0.229  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.545   0.921   0.441  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -1.413  -0.140   0.491  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -1.353  -6.309   1.312  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -1.856  -5.007   0.778  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.239  -4.999   0.204  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -3.915  -6.025   0.214  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -3.671  -3.781  -0.321  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -4.992  -3.699  -0.925  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.888  -2.638  -0.298  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -1.656  -2.622   0.245  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -1.138  -3.873   0.777  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1       -0.936   2.260   0.704  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -0.072   2.807   0.708  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -1.985   2.939  -0.438  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -3.008   1.971  -0.775  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -1.153   3.543  -1.454  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.765   4.244   0.536  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -1.743   5.236   1.080  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -3.812   4.964  -0.311  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1        2.558  -0.635  -0.197  0.00  0.00    -0.459 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.300   0.520  -0.610  0.00  0.00    +0.177 C 
ATOM     26  C   LIG    1        3.861   1.264   0.617  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.277   0.817   0.964  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        6.253   1.069  -0.187  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        5.606   0.951  -1.568  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        4.412   0.009  -1.545  0.00  0.00    +0.044 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6