REMARK  Name = BDB014455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.686   3.475   1.714  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -0.983   2.344   1.336  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.243   1.621   0.426  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.740   0.871  -0.051  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.840   2.238  -0.320  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.680   1.207  -1.087  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.796   0.394  -1.881  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        1.354  -0.180  -2.434  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        2.526   0.299  -0.163  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.564   1.008   0.606  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        4.726   1.406  -0.210  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        5.675   0.279  -0.562  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.729  -0.891   0.218  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        6.641  -1.904  -0.108  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        7.512  -1.748  -1.185  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.475  -0.583  -1.949  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.770  -1.081   1.368  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        6.565   0.428  -1.637  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.039   0.214   1.754  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.199   1.596   1.883  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.753   0.665   0.960  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.809   1.095   0.187  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -4.726   0.111  -0.272  0.00  0.00    +0.072 A 
ATOM     24  C   LIG    1       -5.743   0.556  -1.142  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -5.862   1.893  -1.535  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.953   2.832  -1.075  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.926   2.435  -0.223  0.00  0.00    +0.047 A 
BRANCH  23  28
ATOM     28  N   LIG    1       -4.660  -1.232   0.088  0.00  0.00    -0.323 N 
ATOM     29  C   LIG    1       -5.285  -2.289  -0.721  0.00  0.00    +0.133 C 
ATOM     30  C   LIG    1       -4.655  -3.648  -0.379  0.00  0.00    +0.178 C 
ATOM     31  O   LIG    1       -4.812  -4.031   0.996  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -4.911  -2.909   1.886  0.00  0.00    +0.178 C 
ATOM     33  C   LIG    1       -4.159  -1.654   1.407  0.00  0.00    +0.133 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9