REMARK  Name = BDB051763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.880   0.405  -1.624  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.617   0.694  -1.660  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.095   1.562  -0.499  0.00  0.00    +0.263 C 
BRANCH   3   4
ATOM      4  O   LIG    1        2.480   1.875  -0.664  0.00  0.00    -0.394 OA
BRANCH   4   6
ATOM      5  C   LIG    1        4.523   1.026  -0.344  0.00  0.00    +0.084 C 
ATOM      6  N   LIG    1        3.250   0.799  -0.199  0.00  0.00    -0.089 NA
ATOM      7  C   LIG    1        5.074   2.296  -0.963  0.00  0.00    +0.069 C 
BRANCH   5  13
ATOM      8  C   LIG    1        7.637  -0.645   1.066  0.00  0.00    +0.156 A 
ATOM      9  C   LIG    1        7.237  -1.985   1.004  0.00  0.00    +0.165 A 
ATOM     10  F   LIG    1        8.067  -2.955   1.417  0.00  0.00    -0.202 F 
ATOM     11  C   LIG    1        5.982  -2.347   0.522  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1        5.103  -1.358   0.086  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.489  -0.011   0.126  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        6.752   0.345   0.627  0.00  0.00    +0.058 A 
BRANCH   8  16
ATOM     15  C   LIG    1        9.333   0.922   1.665  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        8.890  -0.425   1.570  0.00  0.00    -0.492 OA
ENDBRANCH   8  16
ENDBRANCH   5  13
ENDBRANCH   4   6
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.300  -0.471  -0.447  0.00  0.00    +0.263 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.691  -0.784  -0.550  0.00  0.00    -0.394 OA
BRANCH  18  19
ATOM     19  N   LIG    1       -3.442   0.278  -0.027  0.00  0.00    -0.089 NA
ATOM     20  C   LIG    1       -4.723   0.056  -0.100  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.376  -1.118  -0.735  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -5.082  -1.442  -2.063  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -5.720  -2.523  -2.673  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.654  -3.274  -1.958  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.952  -2.946  -0.635  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.316  -1.867  -0.020  0.00  0.00    +0.010 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -5.636   1.108   0.506  0.00  0.00    +0.070 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.480   1.138   2.021  0.00  0.00    +0.127 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.831   1.181   2.679  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -7.553   0.202   2.803  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.201   2.413   3.087  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -6.538   3.109   2.922  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 14