REMARK  Name = BDB005213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.661  -0.128  -2.293  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.204  -1.062  -1.169  0.00  0.00    +0.109 C 
ATOM      3  N   LIG    1        1.453  -0.371  -0.128  0.00  0.00    -0.260 N 
ATOM      4  C   LIG    1        2.162  -0.351   1.081  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        1.853   0.161   2.142  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        3.403  -1.131   0.902  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.427  -1.477   1.780  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        5.444  -2.314   1.272  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.434  -2.775  -0.054  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.405  -2.409  -0.914  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.400  -1.586  -0.424  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.138   0.144  -0.333  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -0.589  -0.162  -1.489  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.885   0.340  -1.692  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -2.513   1.169  -0.755  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -1.786   1.471   0.397  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -0.490   0.967   0.607  0.00  0.00    +0.025 A 
BRANCH  15  18
ATOM     18  N   LIG    1       -3.805   1.640  -1.011  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1       -4.304   2.847  -0.318  0.00  0.00    +0.133 C 
ATOM     20  C   LIG    1       -5.321   2.466   0.767  0.00  0.00    +0.178 C 
ATOM     21  O   LIG    1       -6.481   1.789   0.252  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -6.237   1.112  -0.992  0.00  0.00    +0.178 C 
ATOM     23  C   LIG    1       -4.811   0.550  -1.108  0.00  0.00    +0.133 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        4.584  -1.072   3.207  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        5.382  -1.655   3.937  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        3.866  -0.030   3.704  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        3.918   0.115   4.704  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        3.019   0.306   3.249  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 3