REMARK  Name = BDB062179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.919   0.890   0.480  0.00  0.00    -0.069 NA
ATOM      2  C   LIG    1       -1.818   0.486  -0.068  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -1.227  -0.843  -0.257  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.013  -0.648  -0.928  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.794  -1.721  -1.264  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.365  -3.005  -0.908  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.852  -3.189  -0.233  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1       -1.350  -4.782   0.189  0.00  0.00    -0.084 Cl
ATOM      9  N   LIG    1        0.212   0.715  -1.178  0.00  0.00    -0.261 N 
ATOM     10  C   LIG    1       -1.666  -2.106   0.101  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.829   1.483  -0.690  0.00  0.00    +0.273 C 
ATOM     12  O   LIG    1       -0.963   2.687  -0.714  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -3.690  -0.162   0.992  0.00  0.00    -0.317 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -5.641  -0.830   2.093  0.00  0.00    +0.138 C 
ATOM     15  C   LIG    1       -4.848   0.324   1.553  0.00  0.00    +0.333 C 
ATOM     16  O   LIG    1       -5.214   1.490   1.622  0.00  0.00    -0.249 OA
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   9  17
ATOM     17  C   LIG    1        1.376   1.273  -1.834  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.597   1.331  -0.939  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        3.842   0.792  -1.305  0.00  0.00    +0.046 A 
ATOM     20 CL   LIG    1        4.100   0.003  -2.821  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        4.942   0.882  -0.443  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.822   1.521   0.791  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.602   2.079   1.157  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        3.451   2.879   2.672  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        2.502   1.994   0.303  0.00  0.00    +0.026 A 
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 4