REMARK  Name = BDB022939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.901  -1.417   3.544  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.663  -1.026   2.742  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.490  -1.640   1.409  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.387  -1.696   0.346  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.059  -2.213  -0.727  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.922  -1.601   0.998  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.443  -0.169   1.036  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.818   0.784   1.833  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        1.371   2.043   1.780  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        2.450   2.352   1.038  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        2.989   1.371   0.306  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.534   0.111   0.292  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.416   0.490   2.648  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.804  -1.154   0.502  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.225  -0.394  -0.787  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.757  -0.460  -0.960  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.293  -1.828  -1.060  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.591  -2.193  -2.444  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.436  -2.846  -0.436  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.753  -2.319   0.825  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -2.655   1.024  -0.759  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -1.391   1.260  -1.334  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.804   2.525  -1.277  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -1.478   3.563  -0.650  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1       -0.916   4.777  -0.586  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -2.725   3.357  -0.074  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -3.312   2.091  -0.123  0.00  0.00    +0.007 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  28
ATOM     28  N   LIG    1        4.084   1.739  -0.463  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        4.400   2.614  -0.055  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.106   0.714  -0.660  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.471   1.403  -0.818  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.432   0.488  -1.558  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        6.996   0.169  -2.878  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        5.589   0.279  -3.096  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        4.780  -0.156  -1.885  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  11  28
TORSDOF 4