REMARK  Name = BDB040790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.692  -2.181  -0.254  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.486  -1.682   0.352  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.284  -2.674  -0.537  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1        0.993  -2.705  -1.395  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        5.582  -0.466  -0.122  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        4.622  -0.172   0.845  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1        4.907   0.686   1.835  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        3.344  -0.731   0.809  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        2.975  -1.605  -0.218  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.929  -1.909  -1.193  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.202  -1.341  -1.142  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1        6.075  -1.645  -2.114  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1        7.294   3.759   1.877  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        7.231   2.709   1.244  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        7.734   1.541   1.759  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        8.114   1.606   2.693  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        7.584   0.267   1.266  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1        7.905  -0.705   1.948  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.975   0.126  -0.123  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1        7.068   1.441  -0.905  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        6.545   2.618  -0.097  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1       -1.416  -2.098  -1.206  0.00  0.00    -0.306 N 
ATOM     23  H   LIG    1       -1.204  -1.438  -1.945  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.590  -1.888  -0.595  0.00  0.00    +0.235 A 
ATOM     25  N   LIG    1       -3.548  -1.089  -1.063  0.00  0.00    -0.134 NA
ATOM     26  N   LIG    1       -4.483  -1.198  -0.108  0.00  0.00    -0.247 N 
ATOM     27  C   LIG    1       -4.085  -2.058   0.869  0.00  0.00    +0.221 A 
ATOM     28  N   LIG    1       -2.876  -2.490   0.598  0.00  0.00    -0.202 NA
BRANCH  26  29
ATOM     29  C   LIG    1       -5.813  -0.576  -0.180  0.00  0.00    +0.110 C 
ATOM     30  C   LIG    1       -6.193   0.230   1.099  0.00  0.00    +0.034 C 
ATOM     31  C   LIG    1       -6.714   1.295   0.158  0.00  0.00    -0.025 C 
ATOM     32  C   LIG    1       -6.643   2.742   0.571  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -8.161   2.639   0.871  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -8.209   1.393  -0.051  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -5.845   0.775  -0.959  0.00  0.00    +0.034 C 
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 5