REMARK  Name = BDB018570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.292  -2.309   0.237  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        0.043  -2.561  -0.334  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.429  -3.843  -0.494  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.369  -4.915  -0.132  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.147  -6.261  -0.328  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.627  -4.747   0.431  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.370  -5.656   0.786  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.076  -3.342   0.597  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -2.826   1.613   0.693  0.00  0.00    +0.041 A 
ATOM     10  N   LIG    1       -2.700   1.097  -0.553  0.00  0.00    -0.259 NA
ATOM     11  C   LIG    1       -2.231  -0.170  -0.655  0.00  0.00    +0.119 A 
ATOM     12  C   LIG    1       -1.867  -0.962   0.429  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.013  -0.408   1.702  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.495   0.892   1.837  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -2.132   4.012   0.858  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -3.299   3.039   0.799  0.00  0.00    +0.052 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        0.907  -1.486  -0.724  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.293  -0.416   0.054  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.045   0.425  -0.736  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        2.270  -0.153  -1.953  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        1.555  -1.277  -1.947  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        2.591   1.728  -0.470  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1        2.337   2.497   0.687  0.00  0.00    +0.095 A 
ATOM     24  C   LIG    1        2.939   3.771   0.804  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1        2.685   4.792   2.185  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        3.774   4.279  -0.194  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        4.021   3.529  -1.333  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.435   2.271  -1.469  0.00  0.00    +0.029 A 
BRANCH  23  29
ATOM     29  C   LIG    1        1.481   2.080   1.759  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.807   1.758   2.648  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5