REMARK  Name = BDB058460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.092  -4.510   0.322  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.105  -3.134  -0.080  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.024  -2.251   0.019  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.426  -1.016  -0.487  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.431   0.065  -0.516  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.735  -0.102  -0.016  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.128  -1.367   0.482  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.762  -1.135  -0.902  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.247  -2.456   0.508  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.197  -2.459  -0.661  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.302  -2.919  -0.906  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.608   1.006  -0.069  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.142   1.869   0.213  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.018   1.090   0.009  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.640   2.185   0.637  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        3.672   3.450   1.319  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        6.031   2.207   0.688  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        6.928   3.476   1.431  0.00  0.00    -0.060 Cl
ATOM     19  N   LIG    1        6.830   1.247   0.166  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        6.212   0.218  -0.445  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        4.835   0.099  -0.546  0.00  0.00    +0.044 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  22
ATOM     22  C   LIG    1       -2.562  -0.116  -1.536  0.00  0.00    +0.130 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.652   0.467  -0.627  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.207   1.575   0.350  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1       -2.748   2.838  -0.383  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.364   1.927   1.291  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -2.119   1.135   1.158  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -2.343   0.254   1.508  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6