REMARK  Name = BDB008861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.509   2.044  -0.024  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.749   2.061  -0.633  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.890   1.717   0.106  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.748   1.377   1.461  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.490   1.382   2.069  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.642   1.720   1.329  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.724   3.553  -1.305  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.695   2.426  -0.820  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.712   1.492  -0.976  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        2.555   0.053  -0.707  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        3.609  -0.801  -1.436  0.00  0.00    +0.124 C 
ATOM     12  N   LIG    1        4.966  -0.337  -1.107  0.00  0.00    -0.325 N 
ATOM     13  C   LIG    1        5.177   1.131  -1.223  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1        3.921   1.883  -1.708  0.00  0.00    +0.127 C 
BRANCH  12  15
ATOM     15  C   LIG    1        5.846  -1.052  -0.291  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        7.195  -0.666  -0.107  0.00  0.00    +0.144 A 
ATOM     17  F   LIG    1        7.689   0.420  -0.722  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        8.088  -1.377   0.699  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        7.665  -2.521   1.361  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        6.350  -2.940   1.206  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.461  -2.218   0.394  0.00  0.00    +0.026 A 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -3.252   1.708  -0.553  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.809   0.294  -0.712  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -5.076  -0.085  -0.009  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -5.893   0.939   0.729  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -7.298   0.451   1.101  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.264  -0.977   1.629  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.671  -1.930   0.587  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.449  -1.374  -0.092  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.650  -2.330  -0.900  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -4.946  -3.518  -0.976  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.579  -1.800  -1.567  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -3.017  -2.438  -2.121  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -3.130  -0.523  -1.463  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4