REMARK  Name = BDB058075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.574  -1.502  -0.107  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.207  -0.986   1.191  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.656  -1.384   1.002  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.882  -1.223  -0.499  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -1.590  -1.431  -1.135  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        3.834   0.557   0.147  0.00  0.00    +0.132 A 
ATOM      7  C   LIG    1        2.615   0.233  -0.477  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1        2.016   0.486  -1.742  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        0.783  -0.130  -1.753  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        0.593  -0.729  -0.529  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        1.710  -0.526   0.252  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1        1.877  -0.980   1.508  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        3.073  -0.612   2.006  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        4.037   0.113   1.410  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1        4.806   1.320  -0.488  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        4.741   1.314  -1.504  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        6.167   1.169   0.012  0.00  0.00    +0.177 C 
BRANCH  17  19
ATOM     18  C   LIG    1        8.538   2.036  -0.492  0.00  0.00    +0.087 C 
ATOM     19  C   LIG    1        7.151   1.747  -1.000  0.00  0.00    +0.147 C 
ATOM     20  O   LIG    1        6.851   1.928  -2.183  0.00  0.00    -0.296 OA
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  21
ATOM     21  O   LIG    1       -0.690  -1.595   2.381  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1        0.278  -1.425   2.368  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   3  23
ATOM     23  O   LIG    1       -2.798  -2.772   1.357  0.00  0.00    -0.386 OA
ATOM     24  H   LIG    1       -2.280  -2.873   2.185  0.00  0.00    +0.210 HD
ENDBRANCH   3  23
BRANCH   4  25
ATOM     25  C   LIG    1       -3.403   0.165  -0.934  0.00  0.00    +0.176 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.808   0.459  -0.442  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1       -5.898  -0.226  -1.008  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -7.194   0.029  -0.565  0.00  0.00    +0.159 A 
ATOM     29  F   LIG    1       -8.217  -0.635  -1.120  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -7.426   0.959   0.439  0.00  0.00    +0.158 A 
ATOM     31  F   LIG    1       -8.674   1.201   0.862  0.00  0.00    -0.202 F 
ATOM     32  C   LIG    1       -6.365   1.649   1.012  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -5.061   1.400   0.572  0.00  0.00    +0.009 A 
ENDBRANCH  25  26
BRANCH  25  34
ATOM     34  O   LIG    1       -2.498   1.190  -0.514  0.00  0.00    -0.385 OA
ATOM     35  H   LIG    1       -1.750   1.164  -1.141  0.00  0.00    +0.210 HD
ENDBRANCH  25  34
ENDBRANCH   4  25
TORSDOF 9