REMARK  Name = BDB022956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.263   0.372  -2.433  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.381   0.988  -1.031  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.466  -0.052   0.013  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.597  -0.429   0.724  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.589  -1.431   1.443  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.253  -0.864   0.213  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.047  -0.105   0.039  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.054   1.199  -0.421  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.296   1.781  -0.526  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.444   1.143  -0.240  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.347  -0.121   0.186  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.187  -0.774   0.328  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.210   1.940  -0.726  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.865   0.428   0.623  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -4.729   0.270   1.901  0.00  0.00    +0.119 C 
ATOM     16  C   LIG    1       -5.653  -0.958   1.861  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1       -6.317  -1.279   0.599  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -7.580  -0.592   0.373  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.410  -1.226  -0.542  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.658   0.100  -0.648  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.474   1.553   2.212  0.00  0.00    +0.395 C 
ATOM     22  F   LIG    1       -6.233   1.432   3.322  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1       -6.270   1.965   1.208  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1       -4.591   2.556   2.446  0.00  0.00    -0.170 F 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  25
ATOM     25  N   LIG    1        4.479  -0.856   0.514  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        4.158  -1.819   0.521  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.662  -0.597  -0.307  0.00  0.00    +0.087 C 
ATOM     28  C   LIG    1        6.570  -1.850  -0.310  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        7.789  -1.713  -1.120  0.00  0.00    -0.314 NA
ATOM     30  H   LIG    1        8.486  -2.374  -0.775  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        8.341  -0.358  -1.115  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1        7.961   0.448   0.122  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        6.445   0.612   0.241  0.00  0.00    +0.025 C 
ENDBRANCH  25  27
ENDBRANCH  11  25
TORSDOF 4