REMARK  Name = BDB015038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.850  -0.288   1.150  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        4.515  -0.142   1.149  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        3.179  -0.089   0.720  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.136  -0.336   1.613  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        2.393  -0.684   2.936  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        3.711  -0.748   3.380  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        4.760  -0.472   2.496  0.00  0.00    +0.009 A 
BRANCH   2  12
ATOM      8  C   LIG    1        7.745   0.711  -1.539  0.00  0.00    +0.152 A 
ATOM      9  C   LIG    1        7.769  -0.438  -0.754  0.00  0.00    +0.165 A 
ATOM     10  F   LIG    1        8.815  -1.273  -0.841  0.00  0.00    -0.202 F 
ATOM     11  C   LIG    1        6.724  -0.727   0.119  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        5.625   0.143   0.222  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        5.618   1.300  -0.587  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.671   1.584  -1.464  0.00  0.00    +0.049 A 
BRANCH   8  15
ATOM     15  O   LIG    1        8.770   1.001  -2.394  0.00  0.00    -0.504 OA
ATOM     16  H   LIG    1        9.421   0.278  -2.310  0.00  0.00    +0.292 HD
ENDBRANCH   8  15
ENDBRANCH   2  12
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        0.249   0.973   1.489  0.00  0.00    +0.261 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.072   1.159   0.729  0.00  0.00    +0.166 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.809   1.398  -0.663  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1       -1.635   1.134  -1.120  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.014  -0.060   0.859  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.234   0.107   0.031  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.894  -1.207  -0.143  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.231  -1.131  -0.849  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.958   0.071  -0.889  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.206   0.109  -1.524  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.743  -1.045  -2.094  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.035  -2.243  -2.038  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.362   1.327  -0.310  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.787  -2.288  -1.415  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.191   1.045   0.644  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8