REMARK  Name = BDB055630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.233  -0.537   0.996  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.817   0.072   0.034  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -1.403   0.424  -0.358  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1       -0.283   0.136   0.324  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.230  -0.450   1.728  0.00  0.00    +0.210 C 
ATOM      6  O   LIG    1       -1.089  -0.604   2.566  0.00  0.00    -0.285 OA
ATOM      7  C   LIG    1        1.183  -0.773   1.957  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        1.881  -0.372   0.820  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        3.246  -0.537   0.766  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.881  -1.146   1.861  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        3.164  -1.569   3.011  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        1.778  -1.371   3.055  0.00  0.00    +0.025 A 
ATOM     13  N   LIG    1        1.046   0.267  -0.105  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        1.231   0.092  -1.085  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -1.494   1.107  -1.667  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -0.560   1.714  -2.492  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -0.999   2.301  -3.683  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.360   2.293  -4.028  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -3.322   1.709  -3.185  0.00  0.00    +0.077 A 
ATOM     20  C   LIG    1       -2.854   1.136  -2.012  0.00  0.00    +0.053 A 
ATOM     21  N   LIG    1       -3.605   0.535  -1.008  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1       -4.611   0.413  -1.006  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  11  23
ATOM     23  C   LIG    1        3.896  -2.191   4.112  0.00  0.00    +0.179 A 
ATOM     24  N   LIG    1        3.360  -2.615   5.300  0.00  0.00    -0.239 N 
ATOM     25  H   LIG    1        2.405  -2.583   5.633  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1        4.310  -3.139   6.084  0.00  0.00    -0.046 NA
ATOM     27  N   LIG    1        5.428  -3.037   5.383  0.00  0.00    -0.023 NA
ATOM     28  N   LIG    1        5.190  -2.453   4.164  0.00  0.00    -0.108 NA
ENDBRANCH  11  23
BRANCH  19  29
ATOM     29  C   LIG    1       -4.772   1.739  -3.569  0.00  0.00    +0.419 C 
ATOM     30  F   LIG    1       -5.002   1.137  -4.769  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -5.249   3.009  -3.694  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -5.598   1.119  -2.680  0.00  0.00    -0.166 F 
ENDBRANCH  19  29
TORSDOF 2