REMARK  Name = BDB060899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.828  -0.507   0.546  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.941  -0.624   1.928  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.085  -1.383   2.626  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.941   0.061   2.610  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.853   0.847   1.900  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.783   0.938   0.500  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.753   0.262  -0.172  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  17
ATOM      8  C   LIG    1        8.824   1.891  -0.015  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.824   0.820  -0.350  0.00  0.00    -0.048 A 
ATOM     10  C   LIG    1        6.473   0.992  -0.002  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        5.591  -0.051  -0.309  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        6.000  -1.229  -0.928  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1        4.940  -2.082  -1.120  0.00  0.00    -0.231 NA
ATOM     14  C   LIG    1        3.885  -1.454  -0.638  0.00  0.00    +0.128 A 
ATOM     15  C   LIG    1        2.479  -1.959  -0.595  0.00  0.00    +0.182 C 
ATOM     16  N   LIG    1        1.544  -0.989  -0.010  0.00  0.00    -0.288 N 
ATOM     17  C   LIG    1        0.191  -1.259  -0.202  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1       -0.225  -2.082  -1.016  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        2.083  -0.058   0.990  0.00  0.00    +0.130 C 
ATOM     20  C   LIG    1        3.304   0.688   0.463  0.00  0.00    +0.142 C 
ATOM     21  C   LIG    1        7.351  -1.398  -1.258  0.00  0.00    +0.030 A 
ATOM     22  N   LIG    1        4.246  -0.230  -0.132  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        8.254  -0.368  -0.958  0.00  0.00    +0.005 A 
ENDBRANCH   1  17
BRANCH   6  24
ATOM     24  C   LIG    1       -3.778   1.771  -0.277  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.229   1.478   0.086  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -5.897   0.257  -0.433  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.220   0.045  -0.050  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -7.921  -1.084  -0.491  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -7.291  -2.009  -1.322  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.968  -1.804  -1.709  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.879   1.025   0.829  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -9.042   0.882   1.190  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -7.117   2.100   1.215  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -7.558   2.788   1.818  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -5.269  -0.675  -1.269  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -5.825   2.335   0.864  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3