REMARK  Name = BDB028471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.324   1.113   2.101  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.545   1.084   0.893  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        1.818   1.007   0.351  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1        2.957   0.947   1.258  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1        4.041   0.011   0.730  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        4.433   0.290  -0.734  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1        3.592   1.425  -1.341  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        2.109   1.212  -1.067  0.00  0.00    +0.110 C 
ATOM      9  N   LIG    1       -0.469   1.132  -0.031  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.303   0.595  -0.870  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        5.929   0.595  -0.858  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1        6.827  -0.420  -0.568  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        8.262  -0.122  -0.601  0.00  0.00    +0.136 C 
ATOM     14  C   LIG    1        9.043  -1.068   0.315  0.00  0.00    +0.179 C 
ATOM     15  O   LIG    1        8.872  -2.457  -0.002  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1        7.643  -2.755  -0.677  0.00  0.00    +0.179 C 
ATOM     17  C   LIG    1        6.491  -1.822  -0.287  0.00  0.00    +0.136 C 
ATOM     18  O   LIG    1        6.320   1.715  -1.193  0.00  0.00    -0.275 OA
ENDBRANCH   6  11
BRANCH   9  19
ATOM     19  C   LIG    1       -1.857   1.113   0.410  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.313  -0.312   0.754  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.417  -1.073  -0.466  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -3.375  -1.072  -0.677  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.658  -0.383   1.512  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.843  -0.273   0.633  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -6.013  -0.919   1.249  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -7.202  -0.871   0.322  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -7.492   0.348  -0.310  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.609   0.459  -1.142  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -9.426  -0.651  -1.358  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -9.138  -1.866  -0.736  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.604   1.519   0.004  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -8.032  -1.976   0.108  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.125   1.115   0.210  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 6