REMARK  Name = BDB014416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.637  -0.164   0.108  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1       -1.091  -0.101   2.898  0.00  0.00    -0.272 OA
ATOM      3  C   LIG    1       -1.949  -0.573   2.159  0.00  0.00    +0.251 C 
ATOM      4  N   LIG    1       -1.782  -0.752   0.799  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1       -2.650  -0.848   0.279  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1       -3.302  -1.059   2.686  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -4.360  -0.953   1.739  0.00  0.00    -0.483 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -4.944   0.271   1.562  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -4.521   1.478   2.125  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -5.208   2.662   1.840  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -6.311   2.635   0.994  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -6.964   3.771   0.724  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.741   1.444   0.425  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -6.055   0.263   0.709  0.00  0.00    +0.048 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.461  -0.796  -1.279  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.195  -2.201  -1.162  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -0.641  -2.497  -0.346  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1        0.625  -0.102  -2.133  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.927   0.139  -1.474  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.613  -1.133  -1.155  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        4.051  -0.965  -0.701  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.761   0.221  -0.953  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        6.095   0.338  -0.541  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.731  -0.728   0.094  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.039  -1.913   0.327  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.064   1.384  -1.607  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        4.707  -2.033  -0.070  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.790   0.955  -2.346  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 8