REMARK  Name = BDB047139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.266   1.238  -0.777  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.027   0.033  -0.074  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1        1.008  -0.984   0.016  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.170  -0.744  -0.734  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1        2.421   0.385  -1.486  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        3.709   0.161  -2.045  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1        4.199  -1.030  -1.660  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1        3.241  -1.581  -0.829  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1        1.462   1.408  -1.504  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.465   1.067  -2.950  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1        4.326   2.374  -2.591  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1        4.020   0.980  -4.234  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1        5.801   0.819  -2.982  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.702   2.402  -0.741  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -1.641   4.314   0.603  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -0.670   3.144   0.596  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1       -1.147  -0.068   0.632  0.00  0.00    -0.474 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.238  -0.859   0.091  0.00  0.00    +0.200 C 
ATOM     19  C   LIG    1       -3.472   0.061   0.075  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1       -2.009  -1.424  -1.322  0.00  0.00    +0.067 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.575  -1.977   1.112  0.00  0.00    +0.348 C 
ATOM     22  O   LIG    1       -2.114  -2.050   2.244  0.00  0.00    -0.247 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -3.484  -2.893   0.692  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1       -3.868  -2.753  -0.192  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  25
ATOM     25  C   LIG    1        0.899  -2.196   0.900  0.00  0.00    +0.042 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.194  -1.859   2.362  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        1.132  -3.097   3.242  0.00  0.00    +0.004 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9