D0X3CF
-OEChem-10101305022D
44 48 0 1 0 0 0 0 0999 V2000
5.7516 -2.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4728 -2.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1961 2.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2446 -0.8075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2446 -2.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9207 -0.7055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8342 -1.1122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2516 -1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7128 0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7003 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7297 -2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7617 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5663 -1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5538 1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0186 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4323 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5663 -2.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6028 1.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2983 -1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0675 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8596 1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4323 -2.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2983 -2.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2075 2.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8282 -1.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4025 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8018 -0.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8367 -0.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7500 -1.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3324 0.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7991 0.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0988 -0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3017 -0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0146 1.9747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1475 -0.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4323 0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0294 -2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6068 -0.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4323 -3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2073 3.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5909 2.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2890 -2.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2890 -1.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 12 1 0 0 0 0
2 12 2 0 0 0 0
3 19 1 0 0 0 0
3 25 1 0 0 0 0
4 20 1 0 0 0 0
4 26 1 0 0 0 0
5 22 1 0 0 0 0
5 25 1 0 0 0 0
6 24 1 0 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 6 0 0 0
7 27 1 0 0 0 0
8 11 1 1 0 0 0
8 12 1 0 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 13 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 14 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
15 35 1 0 0 0 0
16 21 2 0 0 0 0
16 36 1 0 0 0 0
17 20 1 0 0 0 0
17 37 1 0 0 0 0
18 23 2 0 0 0 0
18 38 1 0 0 0 0
19 22 2 0 0 0 0
20 24 2 0 0 0 0
21 22 1 0 0 0 0
21 39 1 0 0 0 0
23 24 1 0 0 0 0
23 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
26 43 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$