REMARK  Name = BDB047484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.678  -0.256  -1.295  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        1.119   0.052  -0.050  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.612   1.336   0.224  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.638   2.319  -0.781  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        1.193   2.010  -2.026  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.710   0.736  -2.279  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.083   3.529  -0.452  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        0.198   4.578  -1.406  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1        2.230  -1.635  -1.573  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.719  -1.839  -1.231  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1        5.345  -2.304   0.678  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1        4.005  -1.697   0.275  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1        4.563  -0.958  -2.130  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1        4.614  -1.044  -3.349  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        5.271  -0.006  -1.501  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        5.723   0.476  -2.223  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        0.009   1.607   1.581  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.421   1.386   1.560  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -1.944   2.008   0.960  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -1.962   0.170   1.910  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -1.313  -0.762   2.371  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.422   0.002   1.666  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -3.917  -1.294   1.451  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -5.286  -1.510   1.222  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1       -6.143  -0.412   1.222  0.00  0.00    +0.135 A 
ATOM     26  F   LIG    1       -7.453  -0.586   1.008  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -5.668   0.878   1.448  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -4.307   1.089   1.674  0.00  0.00    +0.016 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.848  -2.878   0.983  0.00  0.00    +0.420 C 
ATOM     30  F   LIG    1       -6.475  -2.988  -0.221  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -4.898  -3.856   0.988  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -6.759  -3.248   1.923  0.00  0.00    -0.166 F 
ENDBRANCH  24  29
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 10