REMARK  Name = BDB048630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.270  -2.345   1.400  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.261  -1.478   1.887  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        2.610  -1.865   1.919  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        2.954  -3.149   1.478  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.978  -4.015   0.985  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.644  -3.614   0.940  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.171  -1.899   1.350  0.00  0.00    +0.264 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -1.317  -1.009   0.246  0.00  0.00    -0.487 OA
BRANCH   8  13
ATOM      9  C   LIG    1       -6.321   1.277  -0.629  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.965   0.823  -0.619  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -4.854  -0.033   0.469  0.00  0.00    +0.139 A 
ATOM     12  C   LIG    1       -3.685  -0.697   0.840  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1       -2.557  -0.463   0.046  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1       -2.632   0.393  -1.060  0.00  0.00    +0.046 A 
ATOM     15  O   LIG    1       -6.048  -0.131   1.115  0.00  0.00    -0.463 OA
ATOM     16  C   LIG    1       -3.824   1.044  -1.409  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1       -6.924   0.664   0.452  0.00  0.00    +0.200 A 
BRANCH   9  18
ATOM     18  C   LIG    1       -6.960   2.210  -1.600  0.00  0.00    +0.159 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -6.177   4.134  -0.277  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -6.744   3.663  -1.249  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -7.285   4.487  -2.175  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -7.085   5.385  -1.833  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  C   LIG    1        3.652  -0.918   2.469  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.928  -1.051   1.834  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.160  -0.338   0.692  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        4.202   0.318  -0.081  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        4.581   1.008  -1.238  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        5.924   1.054  -1.640  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        6.878   0.377  -0.870  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        6.495  -0.311   0.285  0.00  0.00    +0.046 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.318   1.789  -2.897  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        5.680   2.986  -3.030  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.027   1.084  -4.024  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.650   2.071  -2.965  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 10