REMARK  Name = BDB046410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.322  -1.243   0.988  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.611  -0.512   0.006  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.210   0.538  -0.730  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.525   0.844  -0.350  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -3.244   0.200   0.637  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -4.503   0.861   0.647  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1       -4.541   1.835  -0.279  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1       -3.307   1.813  -0.901  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -2.642  -0.869   1.317  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.671   0.556   1.515  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -6.413  -0.473   1.022  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -6.517   1.607   1.677  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -5.287   0.180   2.767  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.761  -2.473   1.671  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -0.196  -4.919   1.456  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -0.721  -3.686   0.739  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        0.668  -0.894  -0.340  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.675  -0.391   0.562  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.585   0.588  -0.168  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.118   0.275  -1.430  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.984   1.158  -2.075  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.334   2.361  -1.465  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.822   2.680  -0.209  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.957   1.797   0.439  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1        2.526  -1.553   1.100  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1        2.582  -2.698   0.678  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        3.272  -1.206   2.177  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        3.782  -2.019   2.377  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  29
ATOM     29  C   LIG    1       -0.539   1.256  -1.871  0.00  0.00    +0.042 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.188   2.705  -1.525  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        0.522   3.395  -2.679  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 10