REMARK  Name = BDB001072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.522   2.021   0.151  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.673   3.290  -0.396  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.035   4.348   0.124  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.464   3.473  -1.525  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.119   2.381  -2.101  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.000   1.096  -1.543  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.181   0.922  -0.416  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.109   2.332   2.406  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.300   1.844   1.357  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.470   1.099   1.258  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.227   0.836   2.485  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.152  -0.380   2.361  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        4.052  -0.289   1.208  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        5.282  -0.925   1.274  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        5.640  -1.609   2.227  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        3.600   0.523   0.075  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        2.071   0.642  -0.002  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        6.200  -0.743   0.114  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        6.094  -1.658  -1.086  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        7.277  -1.766  -0.173  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -2.701  -0.075  -2.197  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.296  -1.073  -1.212  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -4.559  -0.754  -0.498  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -5.046  -1.712   0.388  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -6.230  -1.489   1.102  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -6.928  -0.295   0.927  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.444   0.669   0.044  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.301  -2.968   0.570  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -4.697  -3.844   1.331  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.145  -3.096  -0.160  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -2.620  -3.958  -0.047  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -5.263   0.444  -0.669  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -2.642  -2.184  -1.034  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4