REMARK  Name = BDB061638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.085  -3.191  -0.812  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.578  -0.898  -0.599  0.00  0.00    +0.192 A 
ATOM      3  C   LIG    1        3.269  -1.837   0.381  0.00  0.00    +0.168 A 
ATOM      4  F   LIG    1        4.110  -2.041   1.405  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1        2.091  -2.579   0.321  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.208  -2.415  -0.756  0.00  0.00    -0.020 A 
ATOM      7  C   LIG    1        1.533  -1.492  -1.762  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.717  -0.760  -1.685  0.00  0.00    +0.168 A 
ATOM      9  F   LIG    1        3.019   0.087  -2.679  0.00  0.00    -0.202 F 
BRANCH   2  10
ATOM     10  O   LIG    1        4.768  -0.224  -0.564  0.00  0.00    -0.469 OA
BRANCH  10  12
ATOM     11  C   LIG    1        4.410   0.970   1.590  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        4.760   1.068   0.101  0.00  0.00    +0.201 C 
ATOM     13  C   LIG    1        3.887   2.099  -0.620  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1        6.217   1.569   0.013  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1        6.616   2.632   0.469  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1        7.047   0.711  -0.633  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        6.537  -0.079  -0.921  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1       -1.145  -2.510  -0.109  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1       -2.011  -1.557  -0.661  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1       -2.028  -1.230  -1.839  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1       -2.776  -1.103   0.402  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1       -2.299  -1.776   1.474  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1       -1.334  -2.611   1.244  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.811  -0.135   0.380  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1       -4.206   0.490  -0.811  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -5.231   1.447  -0.832  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -5.900   1.804   0.342  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -5.509   1.194   1.539  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -4.484   0.237   1.555  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.988   2.850   0.327  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -7.657   2.910  -0.858  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -7.938   2.641   1.280  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -6.503   4.102   0.550  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8