REMARK  Name = BDB022030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.118  -1.128  -0.281  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -0.454  -1.558  -1.133  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.032  -0.980   0.751  0.00  0.00    +0.220 C 
ATOM      4  O   LIG    1       -0.803  -0.511   1.860  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.434  -1.456   0.353  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -3.348  -1.597   1.580  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -4.099  -0.304   1.874  0.00  0.00    +0.108 C 
ATOM      8  N   LIG    1       -4.941   0.099   0.743  0.00  0.00    -0.301 N 
ATOM      9  C   LIG    1       -6.086   0.850   1.015  0.00  0.00    +0.224 C 
ATOM     10  O   LIG    1       -6.356   1.224   2.154  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.531  -0.350  -0.588  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -3.018  -0.501  -0.702  0.00  0.00    +0.032 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.962   1.184  -0.161  0.00  0.00    +0.209 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -8.243   1.831   0.283  0.00  0.00    +0.398 C 
ATOM     15  F   LIG    1       -9.010   2.074  -0.814  0.00  0.00    -0.170 F 
ATOM     16  F   LIG    1       -8.973   1.037   1.091  0.00  0.00    -0.170 F 
ATOM     17  F   LIG    1       -8.050   3.022   0.885  0.00  0.00    -0.170 F 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  21
ATOM     18  C   LIG    1        3.997  -0.092  -0.439  0.00  0.00    +0.066 A 
ATOM     19  C   LIG    1        3.264   0.156   0.723  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        1.901  -0.177   0.798  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.246  -0.769  -0.280  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.977  -1.032  -1.440  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.335  -0.702  -1.519  0.00  0.00    +0.029 A 
BRANCH  18  27
ATOM     24  C   LIG    1        8.339  -0.266  -2.524  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1        7.324   0.116  -1.515  0.00  0.00    +0.061 A 
ATOM     26  N   LIG    1        6.052  -0.245  -1.673  0.00  0.00    -0.171 NA
ATOM     27  N   LIG    1        5.388   0.225  -0.576  0.00  0.00    -0.237 N 
ATOM     28  C   LIG    1        6.252   0.963   0.233  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        5.894   1.735   1.448  0.00  0.00    +0.066 C 
ATOM     30  C   LIG    1        7.503   0.867  -0.345  0.00  0.00    +0.047 A 
ENDBRANCH  18  27
ENDBRANCH   1  21
TORSDOF 5