REMARK  Name = BDB046448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.821  -3.313   0.047  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1       -2.965  -2.473  -0.156  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -3.883  -3.268  -0.830  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -5.142  -2.815  -1.226  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -5.473  -1.491  -0.910  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -4.594  -0.643  -0.216  0.00  0.00    -0.014 A 
ATOM      7  N   LIG    1       -3.277  -4.486  -0.962  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -3.657  -5.322  -1.390  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -3.333  -1.148   0.166  0.00  0.00    +0.021 A 
ATOM     10  N   LIG    1       -2.039  -4.544  -0.454  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -4.976   0.745   0.109  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -6.191   1.051   0.742  0.00  0.00    +0.166 A 
ATOM     13  F   LIG    1       -7.044   0.069   1.078  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -6.534   2.367   1.042  0.00  0.00    +0.159 A 
ATOM     15  F   LIG    1       -7.699   2.635   1.648  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1       -5.681   3.415   0.721  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -4.470   3.142   0.090  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.122   1.820  -0.213  0.00  0.00    +0.011 A 
ENDBRANCH   6  11
BRANCH   1  21
ATOM     19  N   LIG    1       -0.138  -1.655   0.497  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -0.562  -1.185  -0.291  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -0.539  -2.969   0.693  0.00  0.00    +0.265 C 
ATOM     22  O   LIG    1        0.136  -3.776   1.326  0.00  0.00    -0.268 OA
BRANCH  19  23
ATOM     23  C   LIG    1        1.186  -1.218   0.902  0.00  0.00    +0.108 C 
BRANCH  23  27
ATOM     24  N   LIG    1        3.589   0.678  -0.391  0.00  0.00    -0.300 NA
ATOM     25  C   LIG    1        3.783   0.478   1.054  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1        2.509   0.701   1.881  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        1.240   0.305   1.116  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        1.173   1.086  -0.214  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        2.529   1.647  -0.666  0.00  0.00    +0.085 C 
BRANCH  24  30
ATOM     30  C   LIG    1        4.841   1.042  -1.076  0.00  0.00    +0.112 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.922  -0.054  -1.025  0.00  0.00    +0.174 C 
BRANCH  31  33
ATOM     32  C   LIG    1        7.961   1.165  -1.161  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1        7.058   0.291  -1.825  0.00  0.00    -0.382 OA
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  23  27
ENDBRANCH  19  23
ENDBRANCH   1  21
TORSDOF 7