REMARK  Name = BDB064918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.886  -0.080   0.767  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.468  -0.239   0.479  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        1.033  -0.261  -0.878  0.00  0.00    +0.127 C 
ATOM      4  C   LIG    1        2.498  -0.734  -0.934  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1        3.310   0.025   0.011  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1        2.760   0.315   1.339  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1        1.422  -0.410   1.581  0.00  0.00    +0.127 C 
ATOM      8  O   LIG    1       -1.299  -0.110   1.926  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.681  -0.008  -0.126  0.00  0.00    +0.218 A 
ATOM     10  N   LIG    1        5.215  -0.608  -1.203  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        6.558  -0.611  -1.327  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        7.407  -0.041  -0.412  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1        6.781   0.559   0.650  0.00  0.00    +0.128 A 
ATOM     14  N   LIG    1        5.442   0.583   0.811  0.00  0.00    -0.222 NA
BRANCH  12  15
ATOM     15  C   LIG    1        8.879  -0.034  -0.583  0.00  0.00    +0.420 C 
ATOM     16  F   LIG    1        9.343  -1.123  -1.254  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.316   1.048  -1.281  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        9.553  -0.012   0.600  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1       -1.802   0.150  -0.421  0.00  0.00    +0.239 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -6.658  -0.325  -0.247  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1       -5.318   0.096  -0.093  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1       -5.026   1.302   0.648  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -3.671   1.471   0.634  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1       -3.189   0.389  -0.049  0.00  0.00    -0.261 N 
ATOM     25  C   LIG    1       -5.931   2.156   1.267  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -7.256   1.708   1.098  0.00  0.00    +0.001 A 
ATOM     27  N   LIG    1       -4.154  -0.429  -0.539  0.00  0.00    -0.170 NA
ATOM     28  C   LIG    1       -7.608   0.525   0.376  0.00  0.00    +0.015 A 
BRANCH  20  32
ATOM     29  N   LIG    1       -6.090  -2.296  -1.537  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1       -6.341  -3.143  -2.024  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -5.110  -2.045  -1.424  0.00  0.00    +0.145 HD
ATOM     32  C   LIG    1       -7.074  -1.532  -0.980  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1       -8.255  -1.838  -1.085  0.00  0.00    -0.270 OA
ENDBRANCH  20  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5