REMARK  Name = BDB063496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.327   2.614  -2.016  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.464   2.542  -3.398  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.523   2.937  -4.214  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.624   2.016  -3.960  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.649   1.543  -3.136  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.525   1.603  -1.742  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.370   2.182  -1.190  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.238   4.305  -1.727  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.908   3.163  -1.424  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.621   2.372  -0.523  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        1.381   0.939  -0.295  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.609   0.202   0.258  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        3.146   0.852   1.456  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        3.713   0.189   2.534  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        4.145   0.765   3.526  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        3.057   2.314   1.513  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        2.783   2.959   0.150  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        3.795  -1.296   2.452  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        2.605  -2.142   2.850  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        3.827  -2.127   3.716  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -3.591   1.036  -0.828  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.035  -0.096   0.037  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -2.924  -1.497  -0.469  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1       -2.204  -2.385   0.338  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1       -1.996  -3.719  -0.045  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -2.518  -4.185  -1.246  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.256  -3.323  -2.052  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -1.669  -1.932   1.632  0.00  0.00    +0.273 A 
ATOM     29  O   LIG    1       -0.990  -2.668   2.338  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -1.979  -0.649   1.995  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -1.624  -0.317   2.887  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -3.463  -1.991  -1.666  0.00  0.00    +0.126 A 
ATOM     33  N   LIG    1       -2.596   0.266   1.211  0.00  0.00    -0.175 NA
BRANCH  32  34
ATOM     34  O   LIG    1       -4.224  -1.210  -2.486  0.00  0.00    -0.506 OA
ATOM     35  H   LIG    1       -4.561  -1.740  -3.228  0.00  0.00    +0.292 HD
ENDBRANCH  32  34
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5