REMARK  Name = BDB027528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.369  -0.032   2.301  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.266   0.441   1.621  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.018   0.575   2.291  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.000   1.027   1.196  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.079   1.848   0.286  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.228   1.063   0.304  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.345  -0.331   3.492  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.098  -0.439   0.227  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.946  -1.073  -0.262  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.724  -0.946   0.405  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.644  -0.170   1.562  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.789   0.445   2.071  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.010   0.318   1.398  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.537  -0.120  -0.212  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.288  -0.613  -0.511  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.217  -1.205  -1.327  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.873   0.521   0.775  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.394  -0.595  -2.528  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.586  -0.483  -1.206  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.535  -0.124   0.466  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -2.632  -0.979   1.005  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.772   0.075  -0.131  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.572  -0.998  -0.156  0.00  0.00    -0.215 NA
ATOM     24  C   LIG    1       -5.778  -0.872  -0.728  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -6.218   0.330  -1.286  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -7.491   0.438  -1.882  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -8.333  -0.669  -1.921  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.907  -1.873  -1.369  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.315   1.375  -1.200  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.640  -1.962  -0.781  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1       -4.100   1.272  -0.630  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5