REMARK  Name = BDB027529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.405  -0.200   1.417  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.443   0.433   0.657  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.763   0.966   1.283  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.267   2.023   0.297  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -0.784   1.522  -1.061  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.563   0.893  -0.723  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.324  -0.344   2.633  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.945  -1.679  -0.488  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        5.027  -0.733   0.537  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.866  -0.247   1.149  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.615  -0.706   0.736  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.522  -1.691  -0.249  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.685  -2.174  -0.855  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.371  -1.874  -1.216  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.057  -2.237  -1.143  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        5.904  -3.124  -1.609  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        8.203  -2.684  -1.623  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.019  -0.186  -0.553  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.760  -0.478  -0.905  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.683   2.385   0.365  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -2.888   2.912   1.210  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.683   1.424   0.187  0.00  0.00    +0.120 A 
ATOM     23  N   LIG    1       -3.375   0.148  -0.097  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1       -4.391  -0.731  -0.276  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -5.743  -0.406  -0.200  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.059   0.933   0.079  0.00  0.00    -0.013 A 
ATOM     27  C   LIG    1       -7.409   1.315   0.157  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -8.426   0.377  -0.035  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -8.109  -0.951  -0.308  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.773  -1.345  -0.392  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -5.011   1.846   0.267  0.00  0.00    +0.052 A 
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5