REMARK  Name = BDB031538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.236  -1.306   0.950  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        5.247  -0.229  -0.096  0.00  0.00    +0.252 A 
ATOM      3  O   LIG    1        6.221  -0.036  -0.816  0.00  0.00    -0.268 OA
ATOM      4  N   LIG    1        4.117   0.539  -0.212  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        4.137   1.256  -0.924  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.987   0.366   0.595  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1        2.977  -0.624   1.575  0.00  0.00    +0.088 A 
ATOM      8  N   LIG    1        1.933  -0.854   2.399  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1        0.850  -0.059   2.228  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        0.753   0.951   1.270  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        1.864   1.168   0.443  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        4.156  -1.467   1.736  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        6.579  -3.211   0.009  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        6.478  -2.143   1.089  0.00  0.00    +0.037 C 
ENDBRANCH   1  14
BRANCH  10  15
ATOM     15  C   LIG    1       -0.490   1.805   1.174  0.00  0.00    +0.121 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -0.940   1.988  -0.215  0.00  0.00    -0.288 NA
ATOM     17  C   LIG    1       -2.215   2.748  -0.360  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -2.544   3.790   0.694  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1       -3.008   1.412  -0.333  0.00  0.00    +0.204 C 
ATOM     20  C   LIG    1       -1.647   0.774  -0.707  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1       -4.082   1.318  -1.294  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.685   0.103  -1.502  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -5.511   0.035  -2.628  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -6.181  -1.148  -2.940  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -6.023  -2.256  -2.119  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1       -6.665  -3.394  -2.413  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -5.210  -2.201  -0.992  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.539  -1.016  -0.678  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  15  16
ENDBRANCH  10  15
TORSDOF 5