REMARK  Name = BDB004691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.463  -3.431   0.304  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.617  -2.889  -0.609  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.359  -1.754  -0.236  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.335  -1.221  -1.079  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        2.570  -1.838  -2.314  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        1.839  -2.965  -2.699  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.864  -3.486  -1.853  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        3.102  -0.076  -0.774  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.781   0.191  -1.475  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        3.079   0.665   0.393  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        2.440   0.430   1.411  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        3.973   1.858   0.391  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.630   2.202   1.582  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        5.473   3.315   1.619  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        5.644   4.083   0.472  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        6.450   5.151   0.508  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.983   3.764  -0.710  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.140   2.651  -0.754  0.00  0.00    +0.016 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1       -1.773  -2.891  -0.059  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.824  -2.744  -1.063  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -4.902   0.770   0.514  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -3.699   0.128   0.875  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.383  -1.081   0.223  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.166  -1.696   0.584  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1       -1.382  -1.199   1.548  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -1.757  -0.050   2.103  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -4.274  -1.624  -0.739  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -5.456  -0.979  -1.075  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -2.866   0.638   1.811  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -5.766   0.218  -0.452  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1       -4.557   2.666   2.043  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -3.686   2.233   2.338  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -4.861   3.529   2.469  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -5.355   2.064   1.116  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1       -6.416   2.587   0.791  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6