REMARK  Name = BDB007046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.040  -0.951  -0.562  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.232   0.549  -0.355  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.335   1.404  -1.464  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -0.485   2.787  -1.355  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -0.532   3.349  -0.067  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.684   4.738   0.036  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.781   5.510  -1.116  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.723   4.865  -2.338  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -0.428   2.522   1.063  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -0.579   3.528  -2.481  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -0.276   1.140   0.917  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1       -0.290   0.872  -2.736  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -0.366   1.659  -3.320  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        1.443  -1.322  -0.670  0.00  0.00    -0.023 A 
ATOM     15  C   LIG    1        1.968  -1.739  -1.902  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.319  -2.071  -2.027  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.181  -1.993  -0.931  0.00  0.00    +0.130 A 
ATOM     18  C   LIG    1        3.672  -1.575   0.298  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.318  -1.241   0.426  0.00  0.00    +0.009 A 
BRANCH  17  20
ATOM     20  O   LIG    1        5.471  -2.347  -1.200  0.00  0.00    -0.406 OA
BRANCH  20  21
ATOM     21  C   LIG    1        6.406  -2.290  -0.137  0.00  0.00    +0.575 C 
ATOM     22  F   LIG    1        6.525  -1.034   0.344  0.00  0.00    -0.133 F 
ATOM     23  F   LIG    1        6.061  -3.127   0.865  0.00  0.00    -0.133 F 
ATOM     24  F   LIG    1        7.616  -2.674  -0.604  0.00  0.00    -0.133 F 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  14
BRANCH   1  25
ATOM     25  N   LIG    1       -0.661  -1.786   0.472  0.00  0.00    -0.318 N 
ATOM     26  H   LIG    1       -0.220  -1.709   1.381  0.00  0.00    +0.148 HD
BRANCH  25  30
ATOM     27  C   LIG    1       -4.052  -1.409   3.754  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1       -3.692  -1.504   2.302  0.00  0.00    +0.040 A 
ATOM     29  N   LIG    1       -2.376  -1.599   1.994  0.00  0.00    -0.237 NA
ATOM     30  C   LIG    1       -2.023  -1.682   0.695  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1       -2.968  -1.694  -0.323  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1       -4.318  -1.593   0.002  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.690  -1.494   1.335  0.00  0.00    +0.023 A 
ENDBRANCH  25  30
ENDBRANCH   1  25
TORSDOF 7