REMARK  Name = BDB032229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.886   0.015   1.576  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.348   1.300   1.433  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.942   1.467   0.934  0.00  0.00    +0.128 A 
ATOM      4  F   LIG    1        1.419   2.713   0.800  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1        1.734   0.375   0.574  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.189  -0.911   0.703  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.104  -1.089   1.202  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.286  -0.183   2.117  0.00  0.00    +0.119 C 
BRANCH   8  13
ATOM      9  N   LIG    1       -7.000  -0.469  -0.224  0.00  0.00    -0.299 NA
ATOM     10  C   LIG    1       -6.200   0.672   0.325  0.00  0.00    +0.095 C 
ATOM     11  C   LIG    1       -5.028  -0.258   0.360  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -4.573  -0.868   1.655  0.00  0.00    +0.095 C 
ATOM     13  N   LIG    1       -3.180  -0.782   1.119  0.00  0.00    -0.297 NA
ATOM     14  C   LIG    1       -3.635   0.232   0.122  0.00  0.00    +0.095 C 
ATOM     15  C   LIG    1       -5.720  -1.121  -0.656  0.00  0.00    +0.095 C 
BRANCH   9  17
ATOM     16  C   LIG    1       -8.962   0.845  -0.920  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -7.807  -0.052  -1.384  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -8.394  -1.286  -2.080  0.00  0.00    +0.024 C 
ENDBRANCH   9  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   5  19
ATOM     19  C   LIG    1        3.116   0.585   0.009  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.077  -0.264   0.709  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1        3.924  -0.259   1.715  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.438  -0.175   0.398  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.929   0.293  -0.827  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        7.308   0.298  -1.126  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1        8.231  -0.200  -0.186  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        9.600  -0.160  -0.533  0.00  0.00    +0.124 A 
ATOM     27  N   LIG    1       10.059   0.304  -1.710  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1        9.145   0.760  -2.590  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        7.732  -0.720   1.025  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        7.783   0.783  -2.348  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        6.361  -0.716   1.300  0.00  0.00    +0.023 A 
BRANCH  26  32
ATOM     32  N   LIG    1       10.595  -0.616   0.339  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       11.480  -0.442  -0.131  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       10.543  -0.124   1.224  0.00  0.00    +0.144 HD
ENDBRANCH  26  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7