REMARK  Name = BDB049886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.657  -1.313   0.453  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.685  -0.856   0.378  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.769  -1.667   0.759  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.086  -1.180   0.669  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.358   0.096   0.159  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.294   0.911  -0.256  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.551  -3.057   1.294  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.197  -3.594   0.869  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.979   0.412  -0.157  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.874  -2.567   1.202  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -5.330  -1.421  -1.712  0.00  0.00    +0.138 C 
ATOM     12  N   LIG    1       -5.236  -0.184  -0.952  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1       -4.080   0.068  -0.153  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1       -4.099   1.132   0.762  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -2.988   1.383   1.577  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -1.847   0.589   1.474  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.802  -0.474   0.566  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -5.351   1.944   0.927  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -6.058   2.075  -0.403  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1       -2.928  -0.729  -0.234  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -6.292   0.723  -1.034  0.00  0.00    +0.220 C 
ATOM     22  O   LIG    1       -7.334   0.504  -1.653  0.00  0.00    -0.275 OA
ENDBRANCH   1  17
BRANCH   5  23
ATOM     23  C   LIG    1        4.740   0.522   0.086  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.403   0.850  -1.077  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.680   1.160  -0.710  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        7.758   1.570  -1.577  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.899   1.047   0.614  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.721   0.642   1.094  0.00  0.00    +0.142 A 
ENDBRANCH   5  23
BRANCH   6  29
ATOM     29  C   LIG    1        2.508   2.294  -0.816  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        1.382   3.068  -0.778  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        2.888   2.277  -2.125  0.00  0.00    -0.204 F 
ENDBRANCH   6  29
TORSDOF 3