REMARK  Name = BDB046381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.194  -1.153  -1.604  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.619  -0.853  -0.363  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.561   0.071  -0.246  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.056   0.691  -1.407  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -0.641   0.394  -2.646  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.697  -0.518  -2.743  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.046   0.304   1.145  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        0.813   1.360   1.334  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.153   1.840   0.508  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -0.403  -0.429   2.063  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        1.500   1.591   2.582  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.918   1.085   2.508  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        3.191  -0.277   2.686  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        4.501  -0.752   2.594  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.560   0.118   2.318  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        5.292   1.474   2.133  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.979   1.953   2.224  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  O   LIG    1        6.784  -0.485   2.257  0.00  0.00    -0.406 OA
BRANCH  18  19
ATOM     19  C   LIG    1        7.907   0.329   1.971  0.00  0.00    +0.575 C 
ATOM     20  F   LIG    1        7.787   0.918   0.761  0.00  0.00    -0.133 F 
ATOM     21  F   LIG    1        8.080   1.276   2.918  0.00  0.00    -0.133 F 
ATOM     22  F   LIG    1        9.012  -0.449   1.950  0.00  0.00    -0.133 F 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  23
ATOM     23  O   LIG    1        0.984   1.577  -1.266  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1        1.715   1.921  -2.439  0.00  0.00    +0.277 C 
ENDBRANCH   4  23
BRANCH   1  25
ATOM     25  C   LIG    1       -3.336  -2.135  -1.706  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.704  -1.467  -1.925  0.00  0.00    +0.102 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -6.530   0.024  -0.951  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -5.199  -0.675  -0.702  0.00  0.00    +0.011 C 
ENDBRANCH  26  28
BRANCH  26  29
ATOM     29  C   LIG    1       -5.687  -2.536  -2.366  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1       -6.117  -2.616  -3.508  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.034  -3.425  -1.411  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -5.628  -3.281  -0.537  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 11