REMARK  Name = BDB007002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.756   1.416   0.398  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        4.415   0.697   1.356  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        4.017  -0.573   1.583  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        2.974  -1.151   0.897  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.413  -2.544   1.028  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1        1.458  -2.577  -0.188  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1        1.273  -1.185  -0.628  0.00  0.00    -0.269 N 
ATOM      8  C   LIG    1        0.287  -0.889  -1.551  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.222  -1.792  -2.224  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1        1.644  -2.686   2.347  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        3.486  -3.629   0.915  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        2.284  -0.400  -0.049  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        2.683   0.892  -0.331  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        4.189   2.850   0.096  0.00  0.00    +0.290 C 
ATOM     15  F   LIG    1        4.457   3.010  -1.238  0.00  0.00    -0.199 F 
ATOM     16  F   LIG    1        3.176   3.733   0.360  0.00  0.00    -0.199 F 
BRANCH  14  18
ATOM     17  C   LIG    1        5.824   4.729   0.545  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        5.425   3.299   0.881  0.00  0.00    +0.079 C 
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  C   LIG    1       -0.174   0.572  -1.676  0.00  0.00    +0.181 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.634   0.774  -1.861  0.00  0.00    -0.287 NA
ATOM     21  C   LIG    1       -2.494   0.075  -0.858  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1       -4.003   0.369  -1.142  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -4.437   0.085  -2.518  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -5.396   0.402  -2.647  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.554   0.774  -3.474  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -3.970   0.389  -4.893  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -2.064   0.427  -3.232  0.00  0.00    +0.103 C 
BRANCH  21  28
ATOM     28  C   LIG    1       -2.174   0.502   0.603  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.933  -0.234   1.605  0.00  0.00    -0.300 N 
ATOM     30  C   LIG    1       -2.584  -1.500   2.053  0.00  0.00    +0.216 C 
ATOM     31  O   LIG    1       -1.689  -2.206   1.619  0.00  0.00    -0.276 OA
ATOM     32  C   LIG    1       -3.467  -1.829   3.232  0.00  0.00    +0.097 C 
ATOM     33  C   LIG    1       -4.573  -0.783   3.141  0.00  0.00    +0.028 C 
ATOM     34  C   LIG    1       -3.901   0.396   2.465  0.00  0.00    +0.108 C 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH   8  19
TORSDOF 6