REMARK  Name = BDB018548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.995  -6.226   2.183  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.241  -5.083   1.691  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.060  -5.269   1.248  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        0.656  -6.342   1.229  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.754  -4.052   0.763  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.145  -2.852   0.747  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.246  -2.723   1.233  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.855  -3.843   1.677  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.961  -1.732   0.235  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.341  -0.673   1.047  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        2.013   0.421   0.610  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        2.370   0.496  -0.692  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.038  -0.538  -1.565  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        1.332  -1.653  -1.105  0.00  0.00    +0.013 A 
BRANCH  12  15
ATOM     15  N   LIG    1        3.019   1.627  -1.118  0.00  0.00    -0.315 N 
ATOM     16  C   LIG    1        3.700   1.765  -2.395  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        4.284   3.173  -2.329  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        4.641   3.320  -0.860  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        3.501   2.600  -0.139  0.00  0.00    +0.106 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -1.939  -1.463   1.262  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.914  -0.472   0.307  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.654   0.590   0.790  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -3.256   0.263   1.952  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -2.804  -0.955   2.248  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -2.764   1.897   0.230  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1       -3.786   2.798   0.610  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1       -3.790   4.087   0.042  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -4.997   5.270   0.431  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -2.811   4.475  -0.879  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -1.813   3.584  -1.252  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -1.787   2.303  -0.704  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -4.866   2.442   1.495  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -5.781   2.208   2.171  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 5