REMARK  Name = BDB057843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.506  -0.091   3.994  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.502   0.051   2.888  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.149   0.088   1.546  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -2.072   0.246   0.581  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -3.360   0.361   0.944  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.794   0.318   2.213  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.851   0.164   3.157  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.367   0.565  -0.119  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -4.243   0.041  -1.431  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -5.238   0.318  -2.393  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -6.360   1.078  -2.073  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.507   1.577  -0.787  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.524   1.323   0.172  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.069  -0.811  -1.859  0.00  0.00    +0.372 C 
ATOM     15  F   LIG    1       -3.372  -1.621  -2.921  0.00  0.00    -0.204 F 
ATOM     16  F   LIG    1       -2.003  -0.072  -2.277  0.00  0.00    -0.204 F 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.208   0.016   1.192  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        0.644  -0.788   1.632  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.483   0.050  -0.239  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.979  -0.041  -0.443  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.803   1.048  -0.122  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.189   0.974  -0.292  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        4.771  -0.201  -0.784  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        3.953  -1.295  -1.101  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        2.568  -1.214  -0.930  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  N   LIG    1        6.175  -0.302  -0.964  0.00  0.00    -0.220 N 
ATOM     27  N   LIG    1        6.760  -1.436  -1.425  0.00  0.00    -0.061 NA
ATOM     28  N   LIG    1        8.070  -1.243  -1.488  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1        8.327   0.023  -1.065  0.00  0.00    +0.156 A 
ATOM     30  C   LIG    1        7.149   0.642  -0.726  0.00  0.00    +0.136 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6