REMARK  Name = BDB027544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.730  -0.052   1.549  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.030   1.094   1.227  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.300   1.331   1.778  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.975   2.290   0.785  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.780   3.089   0.255  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.343   2.061   0.184  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.305  -0.911   2.317  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.530  -0.779  -0.288  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.463  -1.674  -0.458  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.224  -1.430   0.142  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.042  -0.279   0.909  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.104   0.604   1.111  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.341   0.357   0.506  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.910  -0.357  -0.932  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        5.745  -1.099  -0.930  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        5.748  -1.967  -1.448  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.101   0.725  -0.394  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.194  -0.456  -1.845  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.992  -1.030  -1.710  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.610   1.588  -0.332  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -2.023   0.908  -0.805  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.783   0.914  -0.026  0.00  0.00    +0.217 A 
ATOM     23  N   LIG    1       -4.010  -0.195  -0.737  0.00  0.00    -0.197 NA
ATOM     24  C   LIG    1       -5.138  -0.866  -0.454  0.00  0.00    +0.146 A 
ATOM     25  C   LIG    1       -6.051  -0.485   0.512  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -7.251  -1.275   0.754  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1       -7.460  -2.380   0.025  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1       -6.493  -2.808  -1.020  0.00  0.00    +0.250 A 
ATOM     29  O   LIG    1       -6.697  -3.820  -1.681  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -5.719   0.663   1.186  0.00  0.00    +0.126 A 
ATOM     31  N   LIG    1       -5.390  -2.022  -1.191  0.00  0.00    -0.307 N 
ATOM     32  H   LIG    1       -4.715  -2.285  -1.893  0.00  0.00    +0.170 HD
ATOM     33  N   LIG    1       -4.598   1.371   0.938  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5