REMARK  Name = BDB034495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.073  -0.438   2.095  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.628   0.282   1.037  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.189   0.373  -0.283  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        0.823   0.905  -1.189  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.132  -0.183  -0.635  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.297   0.403  -0.130  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.526  -0.143  -0.507  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -3.616  -1.246  -1.379  0.00  0.00    +0.090 A 
ATOM      9  N   LIG    1       -4.846  -1.824  -1.768  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1       -5.969  -1.324  -1.328  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1       -5.940  -0.197  -0.442  0.00  0.00    +0.106 A 
ATOM     12  C   LIG    1       -6.910   0.554   0.180  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1       -6.344   1.540   0.950  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1       -5.044   1.405   0.782  0.00  0.00    +0.204 A 
ATOM     15  C   LIG    1       -2.435  -1.793  -1.885  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1       -4.750   0.363  -0.055  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -1.193  -1.262  -1.524  0.00  0.00    +0.015 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -7.124  -1.927  -1.733  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -6.948  -2.837  -2.145  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -7.882  -1.931  -1.063  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        1.881   0.956   1.425  0.00  0.00    +0.132 C 
ATOM     22  C   LIG    1        3.138   0.346   0.815  0.00  0.00    -0.019 A 
ATOM     23  C   LIG    1        4.227   1.187   0.511  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        5.403   0.635  -0.023  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1        5.521  -0.747  -0.238  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.446  -1.578   0.102  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        4.126   2.684   0.696  0.00  0.00    +0.195 C 
ATOM     28  O   LIG    1        3.084   3.067   1.601  0.00  0.00    -0.373 OA
ATOM     29  C   LIG    1        3.269  -1.038   0.625  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        1.839   2.482   1.199  0.00  0.00    +0.187 C 
BRANCH  25  31
ATOM     31  C   LIG    1        6.797  -1.333  -0.789  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        6.597  -2.467  -1.518  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.468  -0.478  -1.612  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.676  -1.672   0.194  0.00  0.00    -0.166 F 
ENDBRANCH  25  31
ENDBRANCH   2  21
TORSDOF 4