REMARK  Name = BDB017523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.073  -1.182   0.271  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.561  -1.270  -1.167  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.674  -0.385  -1.127  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.212  -0.655   0.278  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.046  -0.842   1.120  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.527   0.677  -0.090  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -4.177   0.708   0.285  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -3.302   1.633   0.919  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -2.055   1.049   0.993  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -2.139  -0.201   0.430  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -3.423  -0.418  -0.011  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -3.852  -1.531  -0.633  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -5.160  -1.443  -0.940  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -6.006  -0.423  -0.703  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -6.415   1.716   0.146  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -7.373   1.395   0.065  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -6.198   2.287   0.950  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -0.144  -2.612  -1.502  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -0.960  -3.144  -1.574  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        1.589  -0.742  -2.159  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        1.472  -1.708  -2.286  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        2.094   0.461   0.878  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.527   0.449   0.384  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1        4.528  -0.164   1.155  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        5.846  -0.185   0.703  0.00  0.00    +0.159 A 
ATOM     26  F   LIG    1        6.786  -0.772   1.456  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        6.184   0.394  -0.512  0.00  0.00    +0.158 A 
ATOM     28  F   LIG    1        7.453   0.371  -0.942  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        5.208   1.002  -1.293  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        3.884   1.028  -0.847  0.00  0.00    +0.009 A 
ENDBRANCH  22  23
BRANCH  22  31
ATOM     31  O   LIG    1        1.511   1.753   0.674  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        2.192   2.411   0.897  0.00  0.00    +0.210 HD
ENDBRANCH  22  31
ENDBRANCH   4  22
TORSDOF 7