REMARK  Name = BDB017020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.900  -0.142   0.486  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.874  -1.472   0.862  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.601  -1.772   0.994  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.805  -0.699   0.712  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.615   0.353   0.398  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.497   0.729   0.074  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.352  -0.030   0.303  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.121   0.608   0.233  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.992   1.927  -0.062  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.120   2.627  -0.308  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.386   2.079  -0.254  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.753   0.485  -0.608  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.849   0.133   0.130  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.996  -0.792   1.100  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.247  -0.878   1.719  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.643  -0.681   0.751  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.250  -1.013  -0.615  0.00  0.00    +0.126 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.722  -1.019  -0.584  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1       -3.459   0.166  -0.513  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -4.846   0.140  -0.228  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -5.589   1.331  -0.142  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1       -4.975   2.550  -0.375  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -3.630   2.609  -0.693  0.00  0.00    +0.040 A 
ATOM     24  F   LIG    1       -5.690   3.679  -0.299  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -5.565  -1.161   0.028  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -4.798  -2.336  -0.549  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -2.885   1.427  -0.766  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -3.353  -2.251  -0.094  0.00  0.00    +0.105 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6