REMARK  Name = BDB021782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.921   1.263   0.191  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.227   0.999  -0.252  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.595  -0.327  -0.174  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.177  -0.833   0.590  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.978   1.890  -0.643  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.868  -0.739  -0.238  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        1.816  -1.037  -1.218  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.738   0.047  -1.215  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.155   0.237   0.192  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.286   0.484   1.197  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.327  -0.635   1.122  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.031  -1.641  -0.373  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        3.799  -3.067   0.150  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.302  -1.051   0.285  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.936   0.510  -1.639  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        5.668   0.375  -0.148  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.735  -0.923  -0.750  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -4.104  -2.192  -0.291  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -5.212  -2.852  -0.832  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -5.968  -2.255  -1.849  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1       -5.583  -0.994  -2.321  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.475  -0.335  -1.776  0.00  0.00    +0.023 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -7.156  -2.969  -2.446  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.772  -3.948  -3.474  0.00  0.00    +0.067 C 
ATOM     25  N   LIG    1       -6.490  -4.733  -4.282  0.00  0.00    -0.196 NA
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  26
ATOM     26  C   LIG    1       -0.530   2.681   0.239  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.522   3.234   1.649  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -1.677   3.186   2.445  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -1.672   3.711   3.739  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.517   4.299   4.249  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.632   4.369   3.464  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.628   3.845   2.169  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9