REMARK  Name = BDB041350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.080   0.595  -0.365  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.929  -0.326  -0.332  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.303   0.330   0.336  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.740   1.623  -0.237  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.394   2.337  -0.867  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.772   2.030  -0.235  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.996  -0.819  -0.068  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.755   0.444   0.357  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.473   0.870   0.249  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.259   2.118   0.702  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.384   0.122  -0.254  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.716  -1.174  -0.676  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.022  -1.657  -0.585  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.661  -0.670   0.844  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.290  -0.360   0.544  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.880   0.515   0.862  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.411  -1.300   0.049  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.726  -2.441  -0.268  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.845   1.480  -1.196  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.161   1.148  -0.533  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.953   0.098  -1.004  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.530  -0.642  -2.042  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -5.183  -0.204  -0.412  0.00  0.00    +0.106 A 
ATOM     24  C   LIG    1       -5.660   0.545   0.671  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1       -6.899   0.260   1.286  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1       -7.607  -0.729   0.824  0.00  0.00    +0.103 A 
ATOM     27  C   LIG    1       -7.163  -1.596  -0.352  0.00  0.00    +0.270 A 
ATOM     28  O   LIG    1       -7.861  -2.515  -0.752  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -8.929  -1.069   1.445  0.00  0.00    +0.071 C 
ATOM     30  C   LIG    1       -4.869   1.602   1.134  0.00  0.00    +0.151 A 
ATOM     31  F   LIG    1       -5.284   2.353   2.166  0.00  0.00    -0.203 F 
ATOM     32  N   LIG    1       -5.952  -1.267  -0.904  0.00  0.00    -0.317 N 
ATOM     33  H   LIG    1       -5.622  -1.817  -1.687  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -3.641   1.907   0.545  0.00  0.00    +0.048 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4