REMARK  Name = BDB047482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.671  -0.073   0.417  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.360  -0.202   0.889  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.418   0.827   0.709  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.793   1.995   0.021  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -2.100   2.122  -0.457  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.031   1.097  -0.257  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.193   2.932  -0.151  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1       -0.195   4.197  -0.674  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -3.680  -1.178   0.632  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.756  -0.836   1.677  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -3.521  -1.861   3.701  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -4.228  -0.647   3.111  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.837  -1.894   1.650  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.755  -3.018   1.184  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.985  -1.475   2.218  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.586  -2.246   2.142  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        0.984   0.639   1.233  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.890   0.282   0.164  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.747   0.774  -0.707  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        3.147  -0.201   0.451  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        3.531  -0.467   1.583  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.069  -0.363  -0.706  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        5.446  -0.317  -0.468  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        6.335  -0.470  -1.528  0.00  0.00    +0.136 A 
ATOM     25  F   LIG    1        7.650  -0.412  -1.279  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        5.885  -0.678  -2.830  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1        4.503  -0.739  -3.064  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        3.599  -0.586  -2.007  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.889  -0.837  -3.934  0.00  0.00    +0.420 C 
ATOM     30  F   LIG    1        6.308  -1.031  -5.154  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.717  -1.901  -3.752  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.690   0.253  -4.084  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 10