REMARK  Name = BDB028459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.063  -1.798   2.514  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.861  -0.642   2.153  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.833   0.346   2.175  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1       -4.178  -0.058   2.593  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -5.007  -0.521   1.378  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -5.042   0.548   0.346  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1       -3.686   1.014  -0.058  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -2.865   1.431   1.183  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -0.640  -0.222   1.695  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.407   0.723   1.973  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -5.918   0.377  -0.741  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -6.510  -0.850  -1.076  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -7.382  -0.968  -2.166  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.691   0.146  -2.939  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.131   1.377  -2.621  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -6.259   1.487  -1.533  0.00  0.00    +0.023 A 
ENDBRANCH   6  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.487  -1.139   1.701  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.731  -0.481   1.087  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.039   0.692   1.863  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.352   0.393   2.735  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.918  -1.474   1.078  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.107  -1.137   0.278  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.744   0.131   0.666  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.986   0.437  -0.149  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.168  -0.133  -1.422  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.303   0.194  -2.176  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.239   1.101  -1.681  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.052   1.683  -0.429  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.177  -1.145  -1.943  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.929   1.357   0.332  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.850  -1.139  -1.167  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6