REMARK  Name = BDB018575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.649   2.591  -0.271  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.568   2.717   0.552  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.055   3.955   0.771  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.469   5.094   0.246  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.083   6.383   0.526  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.665   5.043  -0.554  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.218   6.015  -1.059  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.226   3.690  -0.791  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.486  -1.163  -0.990  0.00  0.00    +0.044 A 
ATOM     10  N   LIG    1        2.541  -0.626   0.254  0.00  0.00    -0.259 NA
ATOM     11  C   LIG    1        1.967   0.587   0.438  0.00  0.00    +0.119 A 
ATOM     12  C   LIG    1        1.320   1.308  -0.561  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.282   0.739  -1.834  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.869  -0.507  -2.053  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        2.244  -3.597  -0.474  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        3.086  -2.541  -1.191  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1        4.538  -2.587  -0.714  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -1.212   1.569   1.120  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -1.619   0.436   0.450  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.104  -0.451   1.385  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -2.151   0.145   2.614  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -1.582   1.337   2.450  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.545  -1.812   1.252  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1       -2.431  -2.594   0.082  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1       -2.905  -3.926   0.104  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1       -2.808  -4.967  -1.283  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -3.477  -4.480   1.252  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -3.583  -3.717   2.404  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.121  -2.402   2.404  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -1.840  -2.133  -1.140  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -1.381  -1.779  -2.147  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5