REMARK  Name = BDB061818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.952  -0.335  -1.519  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.104  -1.107  -2.326  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.009  -1.645  -1.722  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        1.986  -2.465  -2.272  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1        2.034  -2.811  -3.216  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1        2.918  -2.797  -1.277  0.00  0.00    +0.328 A 
ATOM      7  N   LIG    1        2.508  -2.126  -0.102  0.00  0.00    -0.292 N 
ATOM      8  O   LIG    1        3.880  -3.532  -1.425  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        1.315  -1.438  -0.376  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.497  -0.681   0.433  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -0.646  -0.117  -0.152  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1       -2.185   0.465  -3.361  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -2.162   0.261  -2.153  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1       -3.227   0.520  -1.317  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -3.249   0.038  -0.427  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -4.494   0.938  -1.873  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.367   1.583  -0.820  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -6.051   0.831   0.165  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -6.843   1.505   1.113  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -6.952   2.895   1.098  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.268   3.634   0.140  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.479   2.985  -0.809  0.00  0.00    +0.006 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -5.935  -0.675   0.233  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1       -4.644  -1.081   0.411  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.637  -1.235   1.258  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -6.372  -1.294  -0.897  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        3.174  -2.217   1.174  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.253  -1.148   1.452  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1        5.438  -1.205   0.469  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        6.316   0.051   0.489  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        6.193   0.830   1.789  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        4.752   1.271   2.048  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        3.701   0.278   1.539  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6