REMARK  Name = BDB018504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.316   1.692   0.479  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -2.656   1.163   0.138  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1       -3.696   2.018   0.068  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -3.545   3.469   0.333  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -4.532   4.194   0.263  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -2.261   3.892   0.641  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1       -2.023   5.300   0.918  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -1.194   3.015   0.708  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -2.926  -0.250  -0.180  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -3.648  -0.996   0.677  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -3.933  -2.432   0.409  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -4.595  -3.066   1.227  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -3.411  -2.947  -0.772  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -3.632  -4.346  -1.099  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -2.671  -2.173  -1.645  0.00  0.00    +0.089 A 
ATOM     16  C   LIG    1       -2.426  -0.883  -1.391  0.00  0.00    +0.026 A 
ENDBRANCH   2   9
BRANCH   1  20
ATOM     17  N   LIG    1        1.861  -0.039   0.284  0.00  0.00    -0.236 N 
ATOM     18  N   LIG    1        1.211  -0.883   1.123  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1       -0.003  -0.360   1.285  0.00  0.00    +0.143 A 
ATOM     20  C   LIG    1       -0.169   0.835   0.570  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        1.044   1.029  -0.053  0.00  0.00    +0.123 A 
BRANCH  17  23
ATOM     22  C   LIG    1        3.889  -1.467   0.115  0.00  0.00    +0.145 A 
ATOM     23  C   LIG    1        3.216  -0.254  -0.120  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1        3.917   0.782  -0.770  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        5.249   0.607  -1.179  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        5.895  -0.608  -0.952  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.213  -1.643  -0.316  0.00  0.00    +0.049 A 
BRANCH  22  29
ATOM     28  C   LIG    1        3.622  -2.729   2.022  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        3.273  -2.568   0.646  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
BRANCH  25  30
ATOM     30  C   LIG    1        5.944   1.678  -1.833  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        6.495   2.553  -2.359  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 5