REMARK  Name = BDB012340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.101   0.143   1.086  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.045  -0.651   1.187  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        0.628  -0.319   2.394  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -0.211   0.646   2.963  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.260   0.929   2.196  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.045   1.127  -0.940  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -3.134   1.066   0.117  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.043   0.208   0.003  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -1.843  -0.562  -1.101  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -2.742  -0.481  -2.104  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -3.849   0.340  -2.073  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -6.064   2.114  -1.788  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.233   2.010  -0.904  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -5.324   2.720   0.232  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.140   3.251   0.123  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.382  -1.512   0.217  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.628  -2.198   0.335  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.800  -1.339  -0.089  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1        4.018  -1.412   0.602  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.112  -0.636   0.202  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        6.572  -0.778   1.118  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        5.000   0.215  -0.902  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        6.308   1.201  -1.451  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        3.794   0.282  -1.604  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        2.704  -0.494  -1.204  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6