REMARK  Name = BDB062517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.640  -0.557  -1.220  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.509  -0.159  -0.539  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1        0.652   0.431   0.274  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.658  -1.117  -2.309  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1        5.070   0.490  -0.292  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        4.502   0.302   0.964  0.00  0.00    -0.312 N 
ATOM      7  C   LIG    1        3.184  -0.154   0.801  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        2.457  -0.496   1.989  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        3.018  -0.308   3.198  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        4.355   0.220   3.338  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        2.891  -0.188  -0.554  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1        5.064   0.498   2.233  0.00  0.00    +0.095 A 
ATOM     13  C   LIG    1        4.093   0.173  -1.224  0.00  0.00    +0.044 A 
BRANCH   5  15
ATOM     14  C   LIG    1        6.864   1.030  -1.997  0.00  0.00    +0.093 C 
ATOM     15  C   LIG    1        6.437   0.929  -0.550  0.00  0.00    +0.177 C 
ATOM     16  O   LIG    1        7.243   1.219   0.333  0.00  0.00    -0.291 OA
ENDBRANCH   5  15
BRANCH   9  17
ATOM     17  O   LIG    1        2.405  -0.609   4.387  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        1.523  -0.972   4.201  0.00  0.00    +0.292 HD
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1       -0.841  -0.379  -0.887  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1       -1.812   0.185  -0.043  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1       -1.379   0.887   1.022  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -3.184   0.037  -0.283  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -3.574  -0.709  -1.404  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -2.623  -1.290  -2.261  0.00  0.00    -0.020 A 
ATOM     25  C   LIG    1       -1.257  -1.120  -1.993  0.00  0.00    +0.032 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.172   0.627   0.609  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -5.477   0.929   0.271  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.054   1.466   1.386  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.410   1.937   1.523  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -5.219   1.540   2.435  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -4.076   1.038   1.961  0.00  0.00    +0.143 A 
ENDBRANCH  22  26
BRANCH  24  32
ATOM     32  C   LIG    1       -3.077  -2.083  -3.459  0.00  0.00    +0.191 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -3.879  -3.180  -3.044  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -3.457  -3.561  -2.255  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  24  32
ENDBRANCH   2  19
TORSDOF 7