REMARK  Name = BDB012989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.495  -0.578  -0.964  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.366   0.223  -0.853  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.908  -0.253  -1.382  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1        1.889   0.873  -1.067  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        1.358   1.401   0.269  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.154   1.317   0.089  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.437  -1.670  -1.524  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1        3.273   0.461  -1.056  0.00  0.00    -0.266 N 
ATOM      9  N   LIG    1        3.702  -0.443  -0.147  0.00  0.00    -0.171 NA
ATOM     10  C   LIG    1        5.009  -0.606  -0.408  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1        5.375   0.237  -1.514  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        6.642   0.345  -2.073  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1        7.590  -0.476  -1.444  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        7.266  -1.330  -0.344  0.00  0.00    +0.005 A 
ATOM     15  F   LIG    1        6.952   1.141  -3.100  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.967  -1.427   0.216  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        4.248   0.906  -1.904  0.00  0.00    +0.120 A 
ENDBRANCH   4   8
BRANCH   1  22
ATOM     18  C   LIG    1       -4.717   0.187   0.563  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1       -4.358   1.405   0.138  0.00  0.00    -0.178 NA
ATOM     20  N   LIG    1       -3.185   1.200  -0.481  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1       -2.752   1.985  -0.953  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1       -2.724  -0.083  -0.401  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -3.735  -0.778   0.234  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.909  -1.036   0.588  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1       -6.018  -0.009   1.289  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -5.788  -0.408   2.748  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 3