REMARK  Name = BDB027533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.512   1.157   1.563  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.388   1.260   0.520  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.772   1.643   0.776  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.270   2.190  -0.565  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.444   1.424  -1.596  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.089   1.297  -0.908  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.215   1.374   2.735  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.596   0.157   0.742  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.571  -0.715   0.363  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.234  -0.398   0.626  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.914   0.807   1.254  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.929   1.674   1.661  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.264   1.350   1.399  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.524  -1.173  -0.137  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        5.967  -0.091   0.515  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.600   0.613   0.869  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        5.934  -2.109  -0.658  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.738  -2.044  -0.771  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.015  -1.094  -0.164  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -3.706   2.169  -0.799  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -4.214   2.945  -0.384  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.456   1.047  -0.514  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -3.952  -0.181  -0.670  0.00  0.00    -0.213 NA
ATOM     24  C   LIG    1       -4.742  -1.231  -0.378  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1       -6.046  -1.083   0.080  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -6.847  -2.200   0.377  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -6.299  -3.457   0.201  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1       -5.043  -3.656  -0.239  0.00  0.00    -0.261 NA
ATOM     29  C   LIG    1       -6.466   0.229   0.210  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -4.309  -2.542  -0.512  0.00  0.00    +0.139 A 
ATOM     31  N   LIG    1       -5.695   1.295  -0.076  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5