REMARK  Name = BDB054433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.358  -0.758  -0.170  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.965  -0.527  -0.251  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -1.812  -1.541  -0.544  0.00  0.00    +0.159 A 
ATOM      4  C   LIG    1       -1.304  -2.811  -0.750  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1        0.054  -2.983  -0.639  0.00  0.00    +0.150 A 
ATOM      6  N   LIG    1        0.895  -1.971  -0.355  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.132  -3.936  -1.095  0.00  0.00    +0.061 N 
ATOM      8  O   LIG    1       -1.764  -5.055  -0.713  0.00  0.00    -0.126 OA
ATOM      9  O   LIG    1       -3.143  -3.718  -1.781  0.00  0.00    -0.126 OA
ENDBRANCH   4   7
BRANCH   1  10
ATOM     10  N   LIG    1        1.129   0.361   0.118  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        0.523   1.166   0.191  0.00  0.00    +0.155 HD
BRANCH  10  15
ATOM     12  C   LIG    1        5.245   1.171   0.670  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.293   2.189   0.738  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.937   1.893   0.551  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        2.499   0.583   0.294  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        3.468  -0.424   0.231  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.827  -0.138   0.416  0.00  0.00    +0.017 A 
BRANCH  12  19
ATOM     18  O   LIG    1        7.578   0.593   0.813  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        6.693   1.427   0.859  0.00  0.00    +0.337 C 
BRANCH  19  20
ATOM     20  O   LIG    1        6.967   2.722   1.098  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        7.942   2.738   1.200  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   3  22
ATOM     22  N   LIG    1       -3.204  -1.295  -0.572  0.00  0.00    -0.297 N 
ATOM     23  H   LIG    1       -3.654  -1.802  -1.336  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.932  -0.145  -0.200  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -5.212   0.051  -0.744  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.994   1.151  -0.380  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.515   2.067   0.551  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.261   1.875   1.123  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.482   0.772   0.756  0.00  0.00    +0.023 A 
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 7