REMARK  Name = BDB000676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.222   2.083   3.355  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        4.236   1.043   2.906  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1        3.440   1.267   1.771  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.500   0.315   1.368  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        2.358  -0.848   2.113  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1        1.423  -1.828   1.741  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1        0.609  -1.672   0.624  0.00  0.00    +0.350 A 
ATOM      8  C   LIG    1        0.764  -0.430  -0.168  0.00  0.00    +0.122 A 
ATOM      9  O   LIG    1       -0.203  -2.542   0.317  0.00  0.00    -0.244 OA
ATOM     10  C   LIG    1        3.124  -1.086   3.250  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        1.662   0.502   0.196  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        4.062  -0.134   3.648  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -0.047  -0.134  -1.392  0.00  0.00    +0.251 C 
ATOM     14  N   LIG    1       -0.941  -1.101  -1.769  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.073  -1.912  -1.166  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        0.089   0.920  -2.011  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -1.900  -0.902  -2.829  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.229  -0.466  -2.272  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -4.205  -1.410  -1.922  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -5.426  -1.000  -1.385  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.681   0.356  -1.184  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.714   1.303  -1.516  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.492   0.895  -2.054  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   8  13
TORSDOF 3