REMARK  Name = BDB016803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.315  -0.414   0.793  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1        0.315  -0.153  -0.309  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -0.937  -0.561   0.367  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.733  -0.878   1.672  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.887  -1.148   2.311  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -2.818  -1.008   1.379  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -2.270  -0.742   0.118  0.00  0.00    -0.323 N 
ATOM      8  C   LIG    1        0.668  -0.805   2.006  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        1.144  -1.068   3.098  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        5.888  -0.209   2.770  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        4.940  -0.220   1.614  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.540  -0.115   0.251  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        6.759  -0.050   0.113  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        4.632  -0.094  -0.804  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        5.134   0.012  -2.165  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.263  -0.194  -0.611  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        2.697  -0.306   0.608  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        3.605  -0.306   1.745  0.00  0.00    +0.033 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1        0.310   1.314  -0.730  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1        0.560   1.670  -2.067  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.561   3.010  -2.465  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.316   4.011  -1.530  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.313   5.659  -2.023  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        0.073   3.685  -0.200  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.072   2.346   0.199  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   7  26
ATOM     26  C   LIG    1       -2.984  -0.636  -1.170  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1       -4.202  -1.584  -1.265  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -2.081  -1.036  -2.360  0.00  0.00    +0.034 C 
ATOM     29  C   LIG    1       -3.465   0.812  -1.367  0.00  0.00    +0.034 C 
ENDBRANCH   7  26
BRANCH   6  30
ATOM     30  C   LIG    1       -4.329  -1.101   1.770  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.965  -2.461   1.907  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -4.700  -1.639   3.131  0.00  0.00    +0.012 C 
ENDBRANCH   6  30
TORSDOF 4