REMARK  Name = BDB014940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.688  -4.353  -0.188  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.021  -3.142  -1.025  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.005  -2.217  -1.235  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.590  -2.519  -0.929  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.781  -1.274  -0.890  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.435  -1.047  -0.511  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.117   0.242  -0.660  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.253   0.853  -1.037  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.267  -0.032  -1.239  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.652   0.234  -1.696  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.278  -1.097  -2.161  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.157  -3.002  -1.478  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.278   2.285  -1.191  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -0.691   3.067  -0.027  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -0.334   4.361  -0.550  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -0.296   4.270  -1.982  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -0.457   2.811  -2.351  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.396  -2.039  -0.116  0.00  0.00    -0.293 N 
ATOM     19  H   LIG    1        0.192  -2.989  -0.409  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.709  -1.940   0.410  0.00  0.00    +0.104 A 
ATOM     21  C   LIG    1        2.172  -0.869   1.193  0.00  0.00    +0.155 A 
ATOM     22  F   LIG    1        1.297   0.052   1.632  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        3.514  -0.784   1.615  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.402  -1.810   1.260  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.960  -2.894   0.503  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        2.632  -2.945   0.088  0.00  0.00    +0.147 A 
ATOM     27  F   LIG    1        2.228  -3.994  -0.648  0.00  0.00    -0.203 F 
BRANCH  23  28
ATOM     28  C   LIG    1        3.996   0.334   2.410  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        3.543   1.633   2.310  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        4.261   2.364   3.210  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        4.133   3.776   3.479  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        5.175   1.639   3.881  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        5.009   0.406   3.395  0.00  0.00    +0.143 A 
ENDBRANCH  23  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4