REMARK  Name = BDB015245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.332  -0.582   0.389  0.00  0.00    +0.154 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.883  -1.907   0.289  0.00  0.00    -0.388 OA
ATOM      3  H   LIG    1        0.116  -2.472   0.061  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -1.073  -0.696   1.018  0.00  0.00    +0.118 C 
BRANCH   4   5
ATOM      5  N   LIG    1       -1.899  -1.706   0.313  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1       -2.412  -1.218  -0.985  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -3.556  -0.230  -0.891  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -4.377  -0.181   0.250  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -5.452   0.717   0.296  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.724   1.546  -0.792  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.924   1.487  -1.930  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.064  -1.043   1.448  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -3.847   0.601  -1.983  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -3.043  -2.147   1.134  0.00  0.00    +0.089 C 
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        1.250   0.301   1.248  0.00  0.00    +0.192 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.386   0.795   0.529  0.00  0.00    -0.373 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.317  -0.225   0.168  0.00  0.00    +0.198 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.616   0.450  -0.193  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        4.878   0.876  -1.508  0.00  0.00    +0.048 A 
ATOM     20 CL   LIG    1        3.746   0.646  -2.798  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        6.080   1.517  -1.836  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        7.038   1.759  -0.857  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        6.791   1.365   0.454  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.591   0.723   0.786  0.00  0.00    +0.048 A 
ATOM     25 CL   LIG    1        5.374   0.296   2.450  0.00  0.00    -0.083 Cl
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7