REMARK  Name = BDB018377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.127   0.021   0.469  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        1.083  -0.257  -0.133  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.958   0.754   0.201  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.324   1.718   0.922  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.086   1.255   1.104  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.663  -0.216   0.311  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.312  -0.793   0.416  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.217  -2.139   0.468  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -2.319  -2.975   0.438  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.101  -4.412   0.510  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.615  -2.487   0.361  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -4.632  -3.174   0.346  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.745  -1.012   0.289  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.688   1.161   0.220  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -3.695   3.307  -0.010  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.949   1.814   0.075  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        3.341   0.915  -0.129  0.00  0.00    +0.084 A 
ATOM     18  C   LIG    1        4.187  -0.137  -0.539  0.00  0.00    +0.095 A 
ATOM     19  C   LIG    1        5.523   0.159  -0.883  0.00  0.00    +0.060 A 
ATOM     20 CL   LIG    1        6.633  -1.063  -1.413  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        6.020   1.463  -0.800  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        5.198   2.492  -0.359  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.873   2.220  -0.022  0.00  0.00    +0.029 A 
BRANCH  18  24
ATOM     24  C   LIG    1        3.783  -1.514  -0.535  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1        3.443  -2.624  -0.521  0.00  0.00    -0.191 NA
ENDBRANCH  18  24
ENDBRANCH   3  17
TORSDOF 5