REMARK  Name = BDB049565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.197   1.145  -0.386  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -4.134  -0.036   0.254  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1       -3.760   0.272  -1.138  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -2.451   1.054  -1.153  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -1.348   0.295  -0.409  0.00  0.00    +0.176 C 
ATOM      6  C   LIG    1       -1.812  -0.014   1.016  0.00  0.00    +0.063 C 
ATOM      7  C   LIG    1       -3.117  -0.803   0.989  0.00  0.00    +0.109 C 
BRANCH   2  10
ATOM      8  C   LIG    1       -7.853   0.119   0.240  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1       -6.501   0.465   0.139  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -5.473  -0.474   0.373  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -5.869  -1.777   0.728  0.00  0.00    +0.145 A 
ATOM     12  F   LIG    1       -4.960  -2.738   0.956  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1       -7.212  -2.135   0.829  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -8.202  -1.187   0.582  0.00  0.00    +0.048 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -8.616   2.312  -0.275  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -8.916   0.956   0.033  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.045   0.584  -0.304  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.098   1.489  -0.386  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.429   1.055  -0.314  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.764  -0.299  -0.165  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        2.681  -1.187  -0.068  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        1.343  -0.761  -0.138  0.00  0.00    +0.047 A 
BRANCH  20  23
ATOM     23  N   LIG    1        5.074  -0.733  -0.081  0.00  0.00    -0.326 N 
ATOM     24  C   LIG    1        6.240   0.125  -0.374  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1        7.296  -0.874  -0.883  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        6.952  -2.162  -0.156  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1        5.429  -2.153  -0.160  0.00  0.00    +0.105 C 
BRANCH  24  28
ATOM     28  C   LIG    1        6.688   0.852   0.893  0.00  0.00    +0.142 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.693   1.907   0.553  0.00  0.00    +0.306 C 
ATOM     30  O   LIG    1        8.905   1.807   0.649  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.133   3.038   0.085  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        7.892   3.636  -0.080  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 8