REMARK  Name = BDB045917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535   0.561  -1.301  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.977  -0.303  -0.278  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -2.320  -0.729  -0.266  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -3.229  -0.318  -1.249  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -2.778   0.533  -2.259  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.449   0.967  -2.284  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.118  -0.822   0.841  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.226  -0.546   0.794  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.561   0.081   0.070  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -0.616  -1.473   1.756  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.114  -0.913   1.867  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.542  -0.600   1.508  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.120   0.620   1.884  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.436   0.921   1.525  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.194   0.015   0.769  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        5.612  -1.204   0.391  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.297  -1.505   0.751  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        7.622   0.332   0.400  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        7.846   1.665   0.228  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        8.019  -0.261  -0.761  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        8.507  -0.076   1.350  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  23
ATOM     22  C   LIG    1        1.216   1.865  -2.293  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        0.775   0.970  -1.277  0.00  0.00    -0.494 OA
ENDBRANCH   1  23
BRANCH   4  24
ATOM     24  C   LIG    1       -4.672  -0.769  -1.202  0.00  0.00    +0.078 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.588   0.124  -0.353  0.00  0.00    +0.230 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.663   1.533  -0.943  0.00  0.00    +0.334 C 
ATOM     27  O   LIG    1       -6.043   1.796  -2.075  0.00  0.00    -0.248 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -5.255   2.480  -0.060  0.00  0.00    -0.479 OA
ATOM     29  H   LIG    1       -4.977   2.012   0.764  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  O   LIG    1       -5.148   0.243   1.015  0.00  0.00    -0.368 OA
ATOM     31  C   LIG    1       -5.530  -0.870   1.818  0.00  0.00    +0.195 C 
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 10