REMARK  Name = BDB031517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.385   0.616   1.074  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.955   0.540   1.684  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        1.949   0.244   0.551  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1        1.190   0.597  -0.728  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1       -0.125   1.197  -0.252  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.019  -0.712   1.007  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1       -7.343   0.165  -0.300  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -6.954   1.117   0.794  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -7.762   1.888   1.299  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -5.647   1.088   1.209  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1       -5.398   1.736   1.944  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.691   0.220   0.671  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -5.050  -0.673  -0.336  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1       -4.193  -1.546  -0.907  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -2.919  -1.518  -0.449  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1       -2.455  -0.658   0.546  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -3.378   0.225   1.123  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -6.429  -0.680  -0.810  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1       -9.078   1.349  -1.678  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -8.778   0.182  -0.749  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1        3.100   1.093   0.689  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.264   0.449   0.378  0.00  0.00    +0.157 A 
ATOM     23  C   LIG    1        4.920  -0.425   1.246  0.00  0.00    +0.182 A 
ATOM     24  N   LIG    1        6.093  -1.034   0.942  0.00  0.00    -0.228 NA
ATOM     25  C   LIG    1        6.646  -0.740  -0.261  0.00  0.00    +0.127 A 
ATOM     26  C   LIG    1        6.075   0.144  -1.174  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.867   0.752  -0.840  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.932  -1.437  -0.584  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        8.893  -0.669  -1.226  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        8.801   0.338  -1.201  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       10.209  -1.210  -1.458  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        8.102  -2.612  -0.280  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
BRANCH  23  33
ATOM     33  C   LIG    1        4.383  -0.736   2.542  0.00  0.00    +0.123 C 
ATOM     34  N   LIG    1        3.894  -0.974   3.569  0.00  0.00    -0.189 NA
ENDBRANCH  23  33
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7