REMARK  Name = BDB042597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.616   0.922   0.316  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.585   1.571   0.982  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.783   0.861   0.953  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.882  -0.569   0.653  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.166  -0.907  -0.108  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        4.366  -0.212   0.478  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1        4.216   0.839   1.304  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        2.900   1.447   1.689  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1        0.496   2.679   1.512  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.708  -0.720   0.142  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1        6.670   0.134  -0.412  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        7.933  -0.354  -0.733  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1        8.843   0.473  -1.265  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        8.266  -1.685  -0.514  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        7.319  -2.545   0.037  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.046  -2.064   0.363  0.00  0.00    +0.008 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.831   1.851   0.314  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.491  -0.193   1.931  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.376  -0.310   0.435  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -5.247   0.151  -0.275  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -5.214   0.009  -1.678  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -4.032   0.494  -2.431  0.00  0.00    +0.257 A 
ATOM     23  N   LIG    1       -3.021   1.059  -1.688  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.235   1.401  -2.229  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.034   1.198  -0.321  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -3.955   0.394  -3.651  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.274  -0.577  -2.374  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -7.374  -1.025  -1.663  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -8.397  -1.590  -2.316  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.093   0.778   0.390  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.435  -0.898  -0.279  0.00  0.00    +0.042 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4