REMARK  Name = BDB018527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.302  -2.060   0.652  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1        0.138  -2.082   0.341  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.831  -3.196   0.657  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.245  -4.308   1.235  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        1.083  -5.463   1.523  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.111  -4.363   1.526  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -1.693  -5.326   2.016  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.885  -3.137   1.210  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.799   1.291   0.042  0.00  0.00    +0.217 A 
ATOM     10  N   LIG    1       -3.976   0.199  -0.725  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -3.173  -0.864  -0.509  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -2.179  -0.898   0.443  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -2.071   0.261   1.179  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1       -2.855   1.345   0.999  0.00  0.00    -0.222 NA
BRANCH   9  16
ATOM     15  C   LIG    1       -4.110   3.643   0.370  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1       -4.638   2.390  -0.144  0.00  0.00    -0.306 N 
ATOM     17  C   LIG    1       -5.294   2.436  -1.440  0.00  0.00    +0.132 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1        0.802  -0.970  -0.277  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.980  -0.395   0.147  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.292   0.614  -0.739  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        1.306   0.758  -1.664  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        0.437  -0.218  -1.404  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.426   1.487  -0.773  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        4.654   1.217  -0.132  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1        5.682   2.181  -0.199  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1        7.219   1.945   0.568  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.509   3.375  -0.904  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        4.314   3.623  -1.566  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.284   2.686  -1.506  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1        4.944  -0.036   0.505  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        5.161  -1.058   1.010  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5