REMARK  Name = BDB059124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.264   1.158  -0.250  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1       -0.745   1.145   1.189  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.563   0.384   1.056  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.061   0.839  -0.316  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.128   1.025  -1.130  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.395  -1.332  -0.171  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1       -4.061  -1.075  -0.526  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -3.147  -1.767  -1.294  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -2.054  -1.030  -1.266  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1       -2.222   0.104  -0.519  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1       -3.505   0.097  -0.042  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1       -4.093   1.022   0.735  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1       -5.372   0.676   0.997  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -6.046  -0.422   0.590  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -6.087  -2.465  -0.577  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1       -7.089  -2.331  -0.564  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.679  -2.919  -1.387  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -0.445   2.479   1.652  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -1.300   2.917   1.824  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        1.456   0.715   2.113  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        1.260   1.647   2.344  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        2.007  -0.147  -1.031  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.425  -0.142  -0.497  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1        3.789  -0.903   0.626  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        5.098  -0.873   1.101  0.00  0.00    +0.159 A 
ATOM     26  F   LIG    1        5.426  -1.612   2.170  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        6.055  -0.089   0.473  0.00  0.00    +0.158 A 
ATOM     28  F   LIG    1        7.315  -0.063   0.929  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        5.717   0.677  -0.637  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        4.405   0.653  -1.120  0.00  0.00    +0.009 A 
ENDBRANCH  22  23
BRANCH  22  31
ATOM     31  O   LIG    1        1.468  -1.474  -1.013  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        2.173  -2.074  -1.314  0.00  0.00    +0.210 HD
ENDBRANCH  22  31
ENDBRANCH   4  22
TORSDOF 7