REMARK  Name = BDB033110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.350  -1.953   0.642  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1       -0.956  -1.268   0.218  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.178  -1.868   0.760  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.197  -2.646   1.907  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1       -3.240  -3.003   2.456  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.868  -3.146   2.435  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1        0.298  -2.225   2.138  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        1.530  -1.715  -1.899  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.985  -1.043  -0.978  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1        1.514  -1.147   0.311  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        1.852  -0.457   0.978  0.00  0.00    +0.149 HD
BRANCH   9  12
ATOM     12  C   LIG    1        3.087  -0.061  -1.228  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.577   0.848  -0.277  0.00  0.00    +0.129 A 
ATOM     14  C   LIG    1        4.612   1.732  -0.603  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        5.177   1.729  -1.889  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1        4.689   0.825  -2.841  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.654  -0.057  -2.513  0.00  0.00    +0.017 A 
BRANCH  15  18
ATOM     18  C   LIG    1        6.297   2.686  -2.221  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        7.418   2.438  -1.491  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.962   3.980  -1.962  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.681   2.651  -3.526  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
BRANCH  13  22
ATOM     22  O   LIG    1        3.049   0.897   0.989  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        3.511   1.584   1.501  0.00  0.00    +0.292 HD
ENDBRANCH  13  22
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   3  24
ATOM     24  C   LIG    1       -3.450  -1.395   0.210  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.801   0.018   0.650  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -3.831   1.117  -0.242  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -4.157   2.395   0.257  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.456   2.589   1.605  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.441   1.509   2.477  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.119   0.237   2.005  0.00  0.00    +0.006 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -3.534   0.967  -1.717  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1       -3.648   2.130  -2.420  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -2.270   0.522  -1.952  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -4.368   0.084  -2.333  0.00  0.00    -0.166 F 
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7