REMARK  Name = BDB009315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.287   0.091  -0.051  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.705  -1.232  -0.154  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.784  -1.671   0.510  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.001  -2.131  -0.947  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.149  -1.711  -1.622  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.609  -0.390  -1.495  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.875   0.511  -0.710  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.340   1.619   1.681  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.997   1.055   0.807  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.340   1.318   0.576  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.092   0.889  -0.618  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.255   1.845  -0.937  0.00  0.00    +0.125 C 
ATOM     13  N   LIG    1        5.189   1.970   0.202  0.00  0.00    -0.311 N 
ATOM     14  C   LIG    1        4.553   1.954   1.544  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        3.041   2.236   1.481  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.319   1.133   0.130  0.00  0.00    +0.140 A 
ATOM     17  N   LIG    1        6.397   0.181  -0.830  0.00  0.00    -0.237 NA
ATOM     18  C   LIG    1        7.511  -0.590  -0.841  0.00  0.00    +0.132 A 
ATOM     19  C   LIG    1        8.538  -0.435   0.071  0.00  0.00    +0.130 A 
ATOM     20  N   LIG    1        8.501   0.504   1.036  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1        7.383   1.276   1.034  0.00  0.00    +0.154 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.862   0.065  -2.209  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.081  -0.803  -1.905  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -4.769  -0.681  -0.580  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.317   0.326   0.441  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -5.328   0.539   1.572  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.888  -0.790   2.063  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.580  -1.547   0.927  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.804  -1.510  -0.361  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -6.236  -2.459  -1.418  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -7.186  -3.219  -1.258  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.516  -2.429  -2.581  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -5.797  -3.068  -3.316  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -4.446  -1.631  -2.838  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4