REMARK  Name = BDB028460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.424   1.803  -0.086  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.723   0.633   0.137  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -1.967   0.106  -0.142  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1       -3.007   0.996  -0.653  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -4.424   0.478  -0.343  0.00  0.00    +0.104 C 
ATOM      6  N   LIG    1       -4.697  -0.921  -0.742  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1       -3.463  -1.657  -1.075  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1       -2.290  -1.324  -0.136  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.164  -0.256   0.685  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.247  -0.954   1.289  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -5.671  -1.022  -1.839  0.00  0.00    +0.119 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.074  -0.613  -1.440  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1       -7.794   0.307  -2.216  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -9.096   0.668  -1.861  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -9.694   0.108  -0.733  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.992  -0.814   0.041  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.691  -1.175  -0.312  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   6  11
BRANCH   9  18
ATOM     18  C   LIG    1        1.489   0.192   1.083  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.285  -0.952   1.721  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.510  -1.499   2.809  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.359  -0.781   3.449  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.670  -0.530   2.260  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.570  -0.014   1.219  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.924  -0.587   1.364  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.939  -0.003   0.403  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.720   1.244  -0.208  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.686   1.777  -1.072  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.876   1.089  -1.306  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.107  -0.137  -0.686  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.419   1.972   0.016  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        8.145  -0.680   0.167  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.666   1.456   1.250  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 7