REMARK  Name = BDB040866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.312  -0.894   0.542  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.220  -0.434  -0.353  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.156  -0.895   0.186  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.406  -0.460   1.581  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.704  -0.942   2.436  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.088  -0.462   1.940  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.135  -0.479  -1.107  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.889   0.191   0.046  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.646   0.046   0.564  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.431   0.728   1.702  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.603  -0.720   0.003  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.935  -1.395  -1.183  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.202  -1.275  -1.751  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.671   0.829  -1.378  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.357   0.461  -0.929  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.943   0.918  -0.120  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.509  -0.321  -1.685  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.819  -0.847  -2.747  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.690  -0.969   2.086  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.889  -0.324   1.415  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.046   1.089   1.476  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -4.164   1.671   0.857  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -4.737   2.951   0.655  0.00  0.00    +0.143 A 
ATOM     24  N   LIG    1       -5.886   2.911  -0.044  0.00  0.00    -0.178 NA
ATOM     25  N   LIG    1       -6.030   1.597  -0.304  0.00  0.00    -0.250 N 
ATOM     26  C   LIG    1       -7.138   1.009  -1.042  0.00  0.00    +0.190 C 
ATOM     27  C   LIG    1       -7.033  -0.540  -1.114  0.00  0.00    +0.242 C 
ATOM     28  N   LIG    1       -5.963  -1.198  -0.533  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -5.953  -2.207  -0.617  0.00  0.00    +0.155 HD
ATOM     30  C   LIG    1       -4.944  -0.536   0.145  0.00  0.00    +0.060 A 
ATOM     31  O   LIG    1       -7.895  -1.214  -1.688  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1       -7.237   1.578  -2.454  0.00  0.00    +0.042 C 
ATOM     33  C   LIG    1       -5.045   0.831   0.222  0.00  0.00    +0.091 A 
ATOM     34  C   LIG    1       -3.845  -1.127   0.753  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4