REMARK  Name = BDB027507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.329   0.324  -2.038  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.307  -0.354  -1.377  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.073  -0.042  -1.754  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.081  -0.363  -0.632  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1        1.982  -1.848  -0.225  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        0.653  -2.503  -0.610  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.512  -1.525  -0.521  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -1.129   1.102  -2.969  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -5.416  -0.258  -0.870  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -4.454   0.070   0.089  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.117   0.262  -0.280  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.732   0.108  -1.614  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -3.690  -0.192  -2.584  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.024  -0.379  -2.211  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -7.386  -0.429   0.661  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1       -6.781  -0.466  -0.579  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -7.369  -0.669  -1.376  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -6.850  -0.227   1.742  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -9.615  -0.706   1.670  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -8.855  -0.683   0.568  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1        3.438  -0.049  -1.077  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        3.514   0.698  -1.763  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.337   0.301  -0.079  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        5.248   1.218  -0.431  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1        6.154   1.592   0.482  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1        6.171   1.065   1.777  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        7.133   1.472   2.724  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        8.088   2.418   2.367  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        8.069   2.941   1.081  0.00  0.00    +0.125 A 
ATOM     30  F   LIG    1        8.985   3.853   0.730  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.182   0.132   2.037  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        7.116   2.535   0.151  0.00  0.00    +0.066 A 
ATOM     33  N   LIG    1        4.263  -0.257   1.135  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5