REMARK  Name = BDB027829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.700  -0.666  -0.020  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.444  -2.054  -0.216  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.895  -2.485  -0.228  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.110  -3.845  -0.401  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.154  -4.795  -0.570  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.114  -4.354  -0.580  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.940  -1.650  -0.091  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        1.703  -0.325   0.034  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -1.456  -3.023  -0.412  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.406   0.181   0.073  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.910   0.516   0.155  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.973   1.832  -0.314  0.00  0.00    +0.151 A 
ATOM     13  F   LIG    1        1.928   2.411  -0.925  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1        4.143   2.562  -0.165  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1        5.264   2.082   0.418  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1        5.206   0.809   0.859  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        4.078   0.007   0.750  0.00  0.00    +0.032 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1       -2.020  -0.214  -0.002  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -2.603  -0.852   0.537  0.00  0.00    +0.147 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.257   1.839   1.380  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -2.551   1.160   0.037  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -2.071   1.996  -1.157  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -4.087   1.026  -0.093  0.00  0.00    +0.031 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3