REMARK  Name = BDB018528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.090   0.832   6.098  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        2.091   0.874   5.040  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.069   1.810   5.110  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        0.927   2.639   6.004  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.084   1.774   3.999  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.196   0.885   2.995  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        1.311  -0.080   2.981  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.189  -0.039   4.004  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.854   0.941   1.967  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -1.876   0.019   1.888  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -2.808   0.014   0.911  0.00  0.00    -0.222 NA
ATOM     12  C   LIG    1       -2.715   0.961  -0.032  0.00  0.00    +0.215 A 
ATOM     13  N   LIG    1       -1.758   1.898  -0.047  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1       -0.860   1.880   0.959  0.00  0.00    +0.124 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -3.673   0.895  -1.023  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -4.130  -0.002  -0.893  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -3.347   1.210  -2.405  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1       -2.083   0.519  -2.942  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -1.148   1.650  -3.355  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -2.088   2.784  -3.734  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -3.186   2.709  -2.682  0.00  0.00    +0.022 C 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  22
ATOM     22  C   LIG    1        1.461  -1.050   1.934  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        1.438  -0.819   0.576  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1        1.570  -2.043  -0.057  0.00  0.00    -0.238 N 
ATOM     25  N   LIG    1        1.748  -3.025   0.850  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1        1.674  -2.432   2.040  0.00  0.00    +0.143 A 
BRANCH  24  27
ATOM     27  C   LIG    1        1.560  -2.311  -1.462  0.00  0.00    +0.084 A 
ATOM     28  C   LIG    1        1.561  -3.630  -1.984  0.00  0.00    +0.095 A 
ATOM     29  C   LIG    1        1.571  -3.802  -3.385  0.00  0.00    +0.060 A 
ATOM     30 CL   LIG    1        1.577  -5.369  -4.130  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        1.572  -2.704  -4.251  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        1.557  -1.415  -3.737  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        1.550  -1.218  -2.356  0.00  0.00    +0.029 A 
BRANCH  28  34
ATOM     34  C   LIG    1        1.508  -4.817  -1.167  0.00  0.00    +0.103 C 
ATOM     35  N   LIG    1        1.439  -5.818  -0.578  0.00  0.00    -0.191 NA
ENDBRANCH  28  34
ENDBRANCH  24  27
ENDBRANCH   7  22
TORSDOF 6