REMARK  Name = BDB047138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.501  -0.342   1.631  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.434   0.212   0.335  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -1.438   1.057  -0.189  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.471   1.353   0.709  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -2.565   0.876   2.002  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -3.770   1.446   2.499  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1       -4.363   2.211   1.566  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1       -3.551   2.142   0.448  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -1.571   0.006   2.479  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.363   1.242   3.848  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -4.915   0.003   3.972  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -3.426   1.338   4.832  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -5.338   2.136   4.160  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.508  -1.361   2.120  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1        1.226  -3.776   2.066  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        0.195  -2.763   1.593  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        0.603  -0.161  -0.489  0.00  0.00    -0.490 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.713   0.746  -0.363  0.00  0.00    +0.246 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.880   0.266  -1.251  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        3.324  -1.142  -0.826  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1        2.456   0.256  -2.726  0.00  0.00    +0.026 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.031   1.240  -1.073  0.00  0.00    +0.314 C 
ATOM     23  O   LIG    1        4.014   2.280  -0.433  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1        5.154   0.873  -1.722  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        5.794   1.587  -1.521  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  26
ATOM     26  C   LIG    1       -1.447   1.540  -1.615  0.00  0.00    +0.042 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.989   0.473  -2.568  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -1.977   0.960  -4.008  0.00  0.00    +0.004 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 10