REMARK  Name = BDB018746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.248   1.219  -0.121  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.217   0.390   0.354  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.918   0.127  -0.424  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        1.976  -0.837   0.042  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        3.355  -0.486  -0.530  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        4.386  -1.572  -0.187  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        5.646  -0.860   0.191  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        5.446   0.589  -0.040  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        3.240  -0.283  -2.043  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        2.141   0.410  -2.484  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        2.144   0.663  -3.464  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        4.114  -0.612  -2.841  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        3.945   0.779   0.112  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        1.023   0.692  -1.696  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.011   1.505  -2.195  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -1.113   1.772  -1.407  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -3.259   0.478   1.230  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1       -2.441   1.498   0.701  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -2.800   2.829   0.981  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.913   3.115   1.768  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1       -4.228   4.392   2.021  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.695   2.100   2.303  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1       -4.363   0.774   2.041  0.00  0.00    +0.049 A 
BRANCH  17  24
ATOM     24  O   LIG    1       -2.933  -0.838   1.008  0.00  0.00    -0.489 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -3.156  -1.885  -1.139  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -3.875  -1.507   0.152  0.00  0.00    +0.167 C 
ATOM     27  C   LIG    1       -4.358  -2.757   0.879  0.00  0.00    +0.051 C 
ENDBRANCH  24  26
ENDBRANCH  17  24
ENDBRANCH   1  18
BRANCH   7  28
ATOM     28  C   LIG    1        6.850  -1.448   0.205  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        7.889  -1.956   0.226  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 4