REMARK  Name = BDB014533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.835   0.810  -0.762  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -1.565   0.945   0.586  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -2.153   0.460   1.253  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.132   1.338  -1.621  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -3.064  -0.051  -1.061  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.090  -0.418  -2.438  0.00  0.00    -0.479 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -5.431  -1.215  -2.399  0.00  0.00    +0.163 A 
ATOM      8  C   LIG    1       -4.362  -0.476  -2.949  0.00  0.00    +0.161 A 
ATOM      9  C   LIG    1       -4.563   0.256  -4.119  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -5.824   0.294  -4.694  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -6.836  -0.411  -4.071  0.00  0.00    +0.113 A 
ATOM     12  N   LIG    1       -6.667  -1.151  -2.952  0.00  0.00    -0.237 NA
BRANCH   7  14
ATOM     13  C   LIG    1       -4.449  -3.235  -1.665  0.00  0.00    +0.130 C 
ATOM     14  N   LIG    1       -5.228  -2.054  -1.270  0.00  0.00    -0.318 N 
ATOM     15  C   LIG    1       -6.490  -2.395  -0.606  0.00  0.00    +0.130 C 
ENDBRANCH   7  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  16
ATOM     16  C   LIG    1       -0.467   1.760   1.099  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.930   1.196   0.752  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.304   1.635  -0.563  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.528   1.494  -1.149  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        1.988   1.704   1.764  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.199   0.857   1.891  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        4.064   1.403   2.958  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.399   0.704   3.091  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.936  -0.030   2.021  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        7.191  -0.640   2.152  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.922  -0.500   3.331  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.403   0.245   4.388  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.133  -0.212   0.760  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.149   0.846   4.268  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.967   0.783   0.636  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 9