REMARK  Name = BDB047432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.262   0.076  -0.559  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.340  -1.126  -0.955  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.724  -0.969  -0.836  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.570  -2.034  -1.218  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.022  -3.243  -1.653  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.646  -3.407  -1.707  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.942   0.336  -0.321  0.00  0.00    +0.168 A 
ATOM      8  C   LIG    1       -0.213  -2.362  -1.354  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.727   0.986  -0.191  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.475   0.715  -0.378  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -3.871   0.100  -1.492  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.489  -0.109  -1.557  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.671   0.298  -0.502  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -2.245   0.914   0.612  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.630   1.117   0.669  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.718  -0.432  -0.464  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -5.998   0.929  -0.347  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -6.420   1.830  -1.528  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -6.508   1.604   0.947  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   9  20
ATOM     20  C   LIG    1        0.503   2.361   0.157  0.00  0.00    +0.358 C 
ATOM     21  O   LIG    1       -0.359   3.119  -0.258  0.00  0.00    -0.243 OA
BRANCH  20  22
ATOM     22  O   LIG    1        1.387   2.796   1.079  0.00  0.00    -0.476 OA
ATOM     23  H   LIG    1        1.142   3.735   1.201  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   9  20
BRANCH   7  24
ATOM     24  O   LIG    1        3.122   0.960  -0.089  0.00  0.00    -0.453 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.154   0.318   0.550  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        3.964  -0.492   1.668  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        5.066  -1.090   2.283  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        6.362  -0.873   1.800  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        6.545  -0.041   0.694  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.442   0.559   0.075  0.00  0.00    +0.050 A 
BRANCH  28  31
ATOM     31  O   LIG    1        7.339  -1.522   2.498  0.00  0.00    -0.406 OA
BRANCH  31  32
ATOM     32  C   LIG    1        8.678  -1.363   2.066  0.00  0.00    +0.575 C 
ATOM     33  F   LIG    1        9.484  -2.086   2.875  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1        9.064  -0.070   2.138  0.00  0.00    -0.133 F 
ATOM     35  F   LIG    1        8.840  -1.812   0.803  0.00  0.00    -0.133 F 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 8