REMARK  Name = BDB046610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.115  -3.126   0.067  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -6.019  -2.602   0.229  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.048  -2.508  -0.871  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.819  -1.911  -0.625  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.830  -1.840  -1.615  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1       -1.599  -1.199  -1.392  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -0.863  -1.540  -2.008  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -1.182  -1.198   0.021  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -2.268  -0.604   0.951  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1       -3.150  -2.303  -2.896  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -4.391  -2.895  -3.157  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.579  -1.347   0.714  0.00  0.00    +0.081 A 
ATOM     13  N   LIG    1       -4.436  -1.446   1.689  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -5.340  -3.009  -2.141  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.616  -2.083   1.438  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -6.280  -2.122   2.206  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -2.466   0.910   0.901  0.00  0.00    -0.036 A 
ATOM     18  C   LIG    1       -2.147   1.682   2.034  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -2.309   3.069   2.023  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -2.792   3.692   0.880  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -2.946   5.023   0.869  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.116   2.955  -0.250  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.954   1.568  -0.241  0.00  0.00    +0.007 A 
ENDBRANCH   9  17
BRANCH   8  24
ATOM     24  C   LIG    1        0.183  -0.548   0.183  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        0.575   0.561  -0.582  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        1.828   1.149  -0.398  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.723   0.646   0.555  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        2.333  -0.454   1.329  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        1.078  -1.043   1.146  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        4.073   1.300   0.763  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1        4.884   1.353  -0.466  0.00  0.00    -0.298 NA
ATOM     32  C   LIG    1        6.103   2.151  -0.265  0.00  0.00    +0.085 C 
ATOM     33  C   LIG    1        7.131   1.203   0.337  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        6.667  -0.190  -0.064  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1        5.391   0.031  -0.864  0.00  0.00    +0.085 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   8  24
TORSDOF 4