REMARK  Name = BDB003746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.328   2.352   0.797  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        3.681   1.026   0.569  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        2.265   0.887   0.194  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        1.423   1.923   0.032  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        2.002  -0.555   0.045  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        3.225  -1.196   0.322  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        3.334  -2.578   0.262  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.199  -3.311  -0.070  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        0.979  -2.687  -0.341  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1        2.277  -4.647  -0.129  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.874  -1.295  -0.286  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.255  -0.194   0.650  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        0.011   1.856  -0.343  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1       -0.976   1.746   0.642  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -2.328   1.669   0.293  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1       -2.688   1.698  -1.054  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -1.705   1.815  -2.042  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.359   1.896  -1.689  0.00  0.00    +0.008 A 
BRANCH  15  19
ATOM     19  O   LIG    1       -3.180   1.544   1.356  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.589   1.598   1.117  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.180   0.274   0.683  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1       -6.317   0.253  -0.138  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -6.891  -0.960  -0.524  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.341  -2.163  -0.086  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.222  -2.155   0.743  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.647  -0.943   1.131  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH  12  27
ATOM     27  C   LIG    1        5.650  -0.565   1.028  0.00  0.00    +0.156 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.525  -0.896  -0.173  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1        6.220  -0.770  -1.348  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.748  -1.355   0.198  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1        7.882  -1.403   1.163  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  12  27
TORSDOF 7