REMARK  Name = BDB045733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.008   0.011   2.054  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.193   0.947   2.182  0.00  0.00    +0.100 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -0.993   2.389  -0.863  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1       -1.976   1.491  -0.233  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -2.091   0.881   0.998  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1       -3.239   0.119   1.026  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -3.773   0.288  -0.169  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1       -3.050   1.116  -0.989  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.003  -0.277  -0.720  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -5.428   0.000  -2.028  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -6.610  -0.555  -2.528  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.381  -1.394  -1.726  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.973  -1.680  -0.425  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.791  -1.124   0.074  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  O   LIG    1        0.957   0.600   1.158  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.094  -0.111   0.900  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        2.435  -1.345   1.447  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.641  -1.959   1.090  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        4.519  -1.352   0.188  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        4.177  -0.118  -0.360  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        2.971   0.496  -0.002  0.00  0.00    +0.049 A 
BRANCH  19  22
ATOM     22  O   LIG    1        5.655  -2.068  -0.063  0.00  0.00    -0.481 OA
BRANCH  22  23
ATOM     23  C   LIG    1        6.625  -1.503  -0.930  0.00  0.00    +0.349 C 
BRANCH  23  24
ATOM     24  C   LIG    1        7.444  -0.368  -0.339  0.00  0.00    +0.343 C 
ATOM     25  O   LIG    1        7.700   0.691  -0.891  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1        7.927  -0.632   0.891  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        8.409   0.181   1.147  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9