B13XAQ
-OEChem-04042105593D
27 28 0 0 0 0 0 0 0999 V2000
-5.4442 1.9849 -0.0164 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.2587 -2.4759 0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5081 1.4248 -0.0351 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2005 0.7001 1.2049 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3872 0.6855 -1.0604 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1636 -0.3578 0.0148 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8071 1.5657 -0.0236 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7147 -0.8957 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7705 -0.6051 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6752 -1.3775 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3589 -0.7144 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3573 -0.6321 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1071 -1.2581 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6044 0.8730 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3355 0.0105 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6771 -0.2587 -1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6755 -0.1763 1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0778 1.0215 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7098 0.4858 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7563 -2.4623 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8568 -0.9208 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 -0.7744 2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1736 -0.1196 -2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1500 0.0208 2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0986 -0.7558 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7462 2.5801 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1274 1.0209 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 13 2 0 0 0 0
3 14 2 0 0 0 0
4 19 1 0 0 0 0
4 27 1 0 0 0 0
5 19 2 0 0 0 0
6 13 1 0 0 0 0
6 18 1 0 0 0 0
6 25 1 0 0 0 0
7 14 1 0 0 0 0
7 18 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 10 2 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
10 20 1 0 0 0 0
11 16 1 0 0 0 0
11 21 1 0 0 0 0
12 17 2 0 0 0 0
12 22 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
15 19 1 0 0 0 0
16 23 1 0 0 0 0
17 24 1 0 0 0 0
M END
$$$$