REMARK  Name = BDB007090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242  -0.555  -0.721  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.024   0.155   0.460  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.280   0.773   0.628  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        1.851   1.552   1.670  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.125   1.895   1.287  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.364   1.335   0.055  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.243   0.653  -0.380  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.992  -0.067  -1.560  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.739  -0.671  -1.709  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.650  -0.619  -0.384  0.00  0.00    -0.302 N 
ATOM     11  H   LIG    1       -2.522   0.264   0.090  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.552  -1.226  -0.952  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.598  -2.240  -1.637  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -4.113  -2.498   0.236  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -4.034  -1.121  -0.458  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -4.493  -1.305  -1.922  0.00  0.00    +0.036 C 
BRANCH  15  17
ATOM     17  C   LIG    1       -4.929  -0.053   0.215  0.00  0.00    -0.025 A 
ATOM     18  C   LIG    1       -5.027   1.235  -0.354  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -5.808   2.234   0.231  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -6.508   1.972   1.404  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.421   0.714   1.991  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.638  -0.287   1.405  0.00  0.00    +0.006 A 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        4.619   1.484  -0.675  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.681   0.560  -0.140  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.703   1.061   0.675  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1        6.740   2.368   0.968  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        7.692   0.233   1.193  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        7.657  -1.121   0.895  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        8.603  -1.930   1.388  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.653  -1.653   0.092  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.663  -0.815  -0.426  0.00  0.00    +0.011 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5