REMARK  Name = BDB046584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.945   0.476  -2.044  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        2.124   0.217  -1.378  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        2.126  -0.467  -0.635  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.898   1.033  -3.135  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.707  -0.884  -0.222  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -2.607  -0.723  -1.611  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.415  -0.277  -2.187  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.304   0.003  -1.384  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.402  -0.144   0.004  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.596  -0.590   0.579  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -3.999  -1.357   0.401  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.120  -0.305   0.375  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -5.902   1.969   1.217  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -4.853   0.869   1.333  0.00  0.00    +0.011 C 
ENDBRANCH  12  14
BRANCH  12  15
ATOM     15  C   LIG    1       -6.397  -1.012   0.761  0.00  0.00    +0.308 C 
ATOM     16  O   LIG    1       -6.699  -1.419   1.870  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -7.226  -1.195  -0.285  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -8.001  -1.656   0.099  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1        3.390   0.524  -2.001  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.520   0.339  -1.024  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        5.263  -0.849  -1.006  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        6.293  -1.026  -0.080  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        6.600  -0.020   0.848  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        5.843   1.161   0.841  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        4.813   1.337  -0.086  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.698  -0.221   1.863  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        8.704  -1.023   1.413  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        8.295   0.942   2.246  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.242  -0.802   3.008  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9