REMARK  Name = BDB012392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.803  -0.679  -1.132  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.461  -0.899  -0.813  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.009  -1.790  -1.758  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        1.083  -2.068  -2.587  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        2.185  -1.417  -2.222  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.963   1.067  -0.313  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        4.040   0.260  -0.980  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.751   0.164  -0.461  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.375   0.836   0.658  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        3.282   1.632   1.263  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.579   1.782   0.819  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.957   2.281  -0.719  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.350   1.228  -0.801  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.888   0.093  -1.292  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.361  -0.717  -1.164  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.123  -0.268   0.214  0.00  0.00    -0.468 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.395  -0.747   0.660  0.00  0.00    +0.206 C 
ATOM     18  C   LIG    1       -2.568   0.047   0.106  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -3.825  -0.149   0.718  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -4.955   0.517   0.231  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -4.831   1.392  -0.847  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -3.592   1.604  -1.448  0.00  0.00    +0.020 A 
ATOM     23 CL   LIG    1       -6.221   2.216  -1.440  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.920  -1.120   1.865  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -2.752  -0.959   2.844  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -2.463   0.931  -0.975  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -1.404  -0.623   2.191  0.00  0.00    +0.050 C 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5