REMARK  Name = BDB040726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.212  -2.818   0.254  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -0.860  -1.662   1.041  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.973  -1.766   0.135  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -1.648  -3.120  -0.218  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.255  -1.204   0.287  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.453  -0.063   1.072  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.723   0.498   1.203  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.866   1.584   1.976  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.836  -0.044   0.560  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.628  -1.175  -0.227  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -6.662  -1.743  -0.865  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.364  -1.749  -0.369  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -7.213   0.567   0.691  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.247   2.026   0.239  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -6.559   2.467  -0.679  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.164   2.838   0.864  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -8.194   3.796   0.541  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.122   2.485   1.781  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.957   3.296   2.171  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -9.136   1.040   2.213  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.747   0.429   2.122  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.022  -2.093  -0.577  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        0.715  -2.390  -0.817  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        0.370  -2.103  -1.724  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.590  -2.225   0.496  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        2.589  -1.607  -1.708  0.00  0.00    -0.444 OA
BRANCH  26  32
ATOM     27  C   LIG    1        6.407   2.168   0.047  0.00  0.00    +0.134 C 
ATOM     28  N   LIG    1        7.214   1.210  -0.697  0.00  0.00    -0.285 N 
ATOM     29  C   LIG    1        6.681   0.292  -1.605  0.00  0.00    +0.305 C 
ATOM     30  N   LIG    1        5.303   0.329  -1.757  0.00  0.00    -0.278 N 
ATOM     31  C   LIG    1        4.600  -0.504  -2.751  0.00  0.00    +0.155 C 
ATOM     32  C   LIG    1        3.997  -1.297  -1.585  0.00  0.00    +0.213 C 
ATOM     33  C   LIG    1        4.386  -0.112  -0.687  0.00  0.00    +0.155 C 
ATOM     34  O   LIG    1        7.373  -0.502  -2.243  0.00  0.00    -0.252 OA
BRANCH  28  35
ATOM     35  C   LIG    1        8.608   1.105  -0.326  0.00  0.00    +0.077 C 
ATOM     36  C   LIG    1        9.530   2.299  -0.307  0.00  0.00    +0.024 C 
ATOM     37  C   LIG    1        9.706   1.243  -1.351  0.00  0.00    +0.024 C 
ENDBRANCH  28  35
ENDBRANCH  26  32
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6