REMARK  Name = BDB003516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.863  -1.192  -0.677  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.365  -3.325  -0.144  0.00  0.00    +0.176 C 
ATOM      3  N   LIG    1        0.286  -1.978  -0.267  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1        1.369  -1.374   0.501  0.00  0.00    +0.098 C 
ATOM      5  C   LIG    1        2.094  -2.630   1.040  0.00  0.00    +0.167 C 
ATOM      6  N   LIG    1        1.339  -3.821   0.558  0.00  0.00    -0.254 NA
BRANCH   2   7
ATOM      7  N   LIG    1       -0.541  -4.102  -0.764  0.00  0.00    -0.331 N 
ATOM      8  H   LIG    1       -1.499  -3.805  -0.666  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1       -0.423  -5.070  -0.483  0.00  0.00    +0.145 HD
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1        2.265  -0.506  -0.394  0.00  0.00    +0.028 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.433   0.175   0.348  0.00  0.00    -0.009 C 
ATOM     12  C   LIG    1        4.320   0.946  -0.639  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1        5.564   1.524   0.040  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1        5.357   1.857   1.518  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1        3.914   2.239   1.811  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        2.939   1.108   1.472  0.00  0.00    +0.003 C 
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -1.899  -1.088   0.448  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.089  -0.250   0.042  0.00  0.00    -0.045 A 
ATOM     19  C   LIG    1       -4.191  -0.840  -0.591  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -5.299  -0.069  -0.980  0.00  0.00    +0.056 A 
ATOM     21  C   LIG    1       -5.279   1.315  -0.746  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -4.178   1.929  -0.126  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -3.092   1.133   0.270  0.00  0.00    +0.016 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -6.477  -0.713  -1.673  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -7.660  -0.100  -1.393  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -6.352  -0.689  -3.028  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -6.646  -2.022  -1.335  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
BRANCH  22  28
ATOM     28  C   LIG    1       -4.177   3.415   0.145  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1       -4.902   4.123  -0.764  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -2.928   3.958   0.129  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -4.702   3.718   1.364  0.00  0.00    -0.166 F 
ENDBRANCH  22  28
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8