REMARK  Name = BDB016412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.176  -0.634  -0.249  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1        2.460   0.199   0.636  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.053   0.253   0.543  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1        0.350  -0.496  -0.407  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        1.088  -1.335  -1.250  0.00  0.00    +0.145 A 
ATOM      6  F   LIG    1        0.445  -2.092  -2.153  0.00  0.00    -0.204 F 
ATOM      7  C   LIG    1        2.477  -1.404  -1.187  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        3.158   1.068   1.658  0.00  0.00    +0.372 C 
ATOM      9  F   LIG    1        3.628   2.223   1.109  0.00  0.00    -0.204 F 
ATOM     10  F   LIG    1        2.333   1.457   2.673  0.00  0.00    -0.204 F 
ENDBRANCH   2   8
BRANCH   1  12
ATOM     11  C   LIG    1        5.391   0.251  -0.747  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1        4.645  -0.736  -0.219  0.00  0.00    +0.013 C 
BRANCH  11  14
ATOM     13  C   LIG    1        7.512   1.548  -0.949  0.00  0.00    +0.125 C 
ATOM     14  N   LIG    1        6.764   0.317  -0.835  0.00  0.00    -0.352 N 
ATOM     15  H   LIG    1        7.215  -0.418  -0.270  0.00  0.00    +0.145 HD
ENDBRANCH  11  14
BRANCH  12  16
ATOM     16  C   LIG    1        5.286  -1.956   0.359  0.00  0.00    +0.111 C 
ATOM     17  N   LIG    1        6.522  -2.049   0.727  0.00  0.00    -0.307 NA
ATOM     18  H   LIG    1        6.700  -2.992   1.094  0.00  0.00    +0.186 HD
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  19
ATOM     19  N   LIG    1       -1.054  -0.473  -0.499  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -1.414  -1.116  -1.210  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.980   0.606  -0.371  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1       -3.369   0.265  -0.229  0.00  0.00    +0.070 A 
ATOM     23  N   LIG    1       -3.646  -1.106  -0.319  0.00  0.00    -0.338 N 
ATOM     24  H   LIG    1       -2.940  -1.633   0.198  0.00  0.00    +0.146 HD
ATOM     25  C   LIG    1       -4.965  -1.707  -0.306  0.00  0.00    +0.076 C 
ATOM     26  C   LIG    1       -5.829  -1.164   0.807  0.00  0.00    +0.118 C 
ATOM     27  C   LIG    1       -6.460   0.143   0.449  0.00  0.00    +0.219 C 
ATOM     28  N   LIG    1       -5.697   1.190   0.048  0.00  0.00    -0.284 N 
ATOM     29  H   LIG    1       -6.252   2.031  -0.046  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1       -7.677   0.308   0.568  0.00  0.00    -0.275 OA
ATOM     31  C   LIG    1       -5.591  -1.672  -1.700  0.00  0.00    +0.028 C 
ATOM     32  C   LIG    1       -4.307   1.313  -0.142  0.00  0.00    +0.056 A 
ATOM     33  C   LIG    1       -3.861   2.647  -0.219  0.00  0.00    +0.025 A 
ATOM     34  C   LIG    1       -2.510   2.961  -0.343  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -1.571   1.943  -0.410  0.00  0.00    +0.025 A 
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 6