REMARK  Name = BDB042798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.420   0.876   0.522  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1        0.406   0.540  -0.754  0.00  0.00    +0.087 C 
ATOM      3  N   LIG    1       -0.301  -0.470  -1.570  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.118  -0.660  -2.478  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -0.758  -1.611  -0.904  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.004  -1.617   0.473  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.460  -2.755   1.128  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -1.747  -3.911   0.405  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -1.570  -3.894  -0.972  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -1.859  -4.989  -1.686  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.609  -2.711   2.589  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -2.004  -3.686   3.216  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -1.263  -1.525   3.197  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -1.369  -1.475   4.207  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -0.883  -0.377   2.566  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -1.090  -2.760  -1.629  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -0.772  -0.406   1.269  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.880   0.073  -0.477  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        2.716   1.113   0.291  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        4.133   0.624   0.621  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        4.631  -0.468  -0.309  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        5.984  -0.500  -0.290  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        4.209  -1.676   0.147  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        4.134  -0.278  -1.725  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        2.604  -0.292  -1.801  0.00  0.00    +0.011 C 
ENDBRANCH   2  18
BRANCH   1  30
ATOM     26  C   LIG    1       -3.986   3.353   0.104  0.00  0.00    +0.087 A 
ATOM     27  C   LIG    1       -3.524   2.617  -0.981  0.00  0.00    +0.141 A 
ATOM     28  F   LIG    1       -4.170   2.661  -2.156  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -2.385   1.817  -0.878  0.00  0.00    +0.044 A 
ATOM     30  C   LIG    1       -1.671   1.741   0.326  0.00  0.00    -0.034 A 
ATOM     31  C   LIG    1       -2.152   2.485   1.422  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -3.295   3.284   1.315  0.00  0.00    +0.022 A 
BRANCH  26  34
ATOM     33  N   LIG    1       -6.096   4.844  -0.089  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1       -5.154   4.169  -0.019  0.00  0.00    +0.102 C 
ENDBRANCH  26  34
ENDBRANCH   1  30
TORSDOF 3