REMARK  Name = BDB060609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.802   1.704   0.319  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        1.909   2.011  -0.883  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.721   2.668  -0.199  0.00  0.00    +0.177 C 
ATOM      4  C   LIG    1        0.608   1.887   1.113  0.00  0.00    +0.166 C 
ATOM      5  O   LIG    1        1.944   1.439   1.449  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        4.613  -2.728  -0.505  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        4.635  -1.356  -0.199  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1        5.668  -0.485   0.079  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        5.079   0.674   0.284  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1        3.716   0.594   0.146  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1        3.413  -0.702  -0.174  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1        2.207  -1.239  -0.423  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1        2.311  -2.551  -0.713  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        3.424  -3.312  -0.776  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1        5.759  -3.511  -0.567  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        5.629  -4.328  -1.149  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.606  -2.968  -0.697  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        2.524   2.901  -1.817  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        2.333   3.802  -1.479  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        1.080   4.043   0.057  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.307   4.457   0.484  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -0.316   0.656   1.007  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -1.706   0.997   0.689  0.00  0.00    -0.294 NA
ATOM     24  C   LIG    1       -2.558  -0.128   0.216  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -2.427  -0.195  -1.330  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -2.731  -1.571  -1.935  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.697  -2.394  -1.098  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -3.177  -2.622   0.320  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -2.239  -1.516   0.821  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1       -3.990   0.315   0.631  0.00  0.00    +0.023 C 
ATOM     31  C   LIG    1       -3.827   1.683   1.271  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -2.410   1.648   1.794  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6