REMARK  Name = BDB049081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.827   1.226  -1.556  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.617   0.730  -0.816  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        2.707  -0.073   0.334  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.554  -0.453   1.030  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.296  -0.078   0.559  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.171   0.673  -0.618  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.340   1.081  -1.286  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -1.182   1.117  -1.158  0.00  0.00    +0.051 C 
ATOM      9  C   LIG    1       -1.690   2.406  -0.450  0.00  0.00    +0.079 C 
ATOM     10  C   LIG    1       -3.179   2.110  -0.179  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -3.173   0.668   0.094  0.00  0.00    -0.296 NA
ATOM     12  C   LIG    1       -2.332   0.102  -0.973  0.00  0.00    +0.094 C 
BRANCH   9  13
ATOM     13  N   LIG    1       -1.343   3.665  -1.151  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -2.084   3.898  -2.389  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1       -1.486   4.818  -0.259  0.00  0.00    +0.104 C 
ENDBRANCH   9  13
BRANCH  11  16
ATOM     16  C   LIG    1       -4.527   0.105   0.122  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.553  -1.347   0.551  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -4.919  -2.322  -0.389  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1       -5.240  -1.959  -1.640  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -4.953  -3.675  -0.067  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -4.614  -4.083   1.218  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.244  -3.134   2.172  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.217  -1.763   1.859  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1       -3.785  -0.786   2.918  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   6   8
BRANCH   3  25
ATOM     25  C   LIG    1        4.005  -0.551   0.874  0.00  0.00    +0.249 C 
ATOM     26  N   LIG    1        4.721  -1.331  -0.014  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1        4.269  -1.537  -0.897  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        4.302  -0.265   2.026  0.00  0.00    -0.270 OA
BRANCH  26  29
ATOM     29  C   LIG    1        5.988  -1.913   0.195  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        6.532  -2.712  -0.811  0.00  0.00    +0.134 A 
ATOM     31  N   LIG    1        7.738  -3.325  -0.747  0.00  0.00    -0.261 NA
ATOM     32  C   LIG    1        8.446  -3.134   0.386  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        8.001  -2.360   1.445  0.00  0.00    +0.021 A 
ATOM     34  C   LIG    1        6.754  -1.741   1.344  0.00  0.00    +0.026 A 
ENDBRANCH  26  29
ENDBRANCH   3  25
TORSDOF 6