REMARK  Name = BDB053445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   1.232  -2.471  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        0.409   0.845  -1.178  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -0.283   0.717  -0.016  0.00  0.00    +0.190 C 
ATOM      4  N   LIG    1        0.441   0.383   1.012  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        1.728   0.274   0.527  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        2.772  -0.043   1.303  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.727   0.582  -0.935  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        2.661   0.594  -1.714  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.172  -0.180   0.896  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        5.136   0.646   1.491  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        6.453   0.476   1.119  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        7.510   1.191   1.591  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        8.594   0.592   0.851  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        8.174  -0.478  -0.021  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        6.832  -0.475   0.202  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.915  -1.312  -0.395  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.570  -1.162  -0.037  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -1.626   0.930   0.022  0.00  0.00    -0.315 N 
ATOM     19  H   LIG    1       -2.141   0.870  -0.853  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.439   0.517   1.155  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.928   0.786   0.840  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.330   0.326  -0.512  0.00  0.00    -0.297 NA
ATOM     23  C   LIG    1       -4.378  -1.151  -0.628  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -5.573  -1.805   0.089  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -6.815  -1.245  -0.352  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -6.835   0.173  -0.152  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -5.665   0.855  -0.880  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5