REMARK  Name = BDB021915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.026  -2.906  -1.226  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.644  -1.742  -1.165  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1       -2.326  -0.672  -0.611  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -1.787   0.192  -0.620  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.583  -0.663   0.013  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -4.020   0.553   0.553  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -5.269   0.658   1.191  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -6.075  -0.483   1.294  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -5.646  -1.696   0.757  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.407  -1.784   0.117  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.711   1.970   1.787  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1       -5.246   2.145   3.054  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -5.275   3.049   1.078  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -7.065   2.099   1.863  0.00  0.00    -0.166 F 
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.306  -1.314  -1.791  0.00  0.00    +0.180 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.253  -0.119  -1.105  0.00  0.00    -0.291 NA
ATOM     17  C   LIG    1        1.308   0.517  -1.937  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1        2.644  -0.259  -2.030  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1        3.177  -0.585  -0.694  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        2.186  -1.269   0.165  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        0.853  -0.477   0.214  0.00  0.00    +0.104 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.072   0.275  -0.053  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        4.317   1.592  -0.467  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.231   2.419   0.200  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.939   1.940   1.296  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.737   0.633   1.718  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.821  -0.185   1.046  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5