D0R2XE
-OEChem-10101305022D
54 53 0 0 0 0 0 0 0999 V2000
6.8671 -3.6900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 3.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 3.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0135 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6210 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3810 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0135 -2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 -2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9976 -3.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2006 -3.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3346 -4.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1316 -4.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0666 -4.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8637 -4.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7341 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 22 1 0 0 0 0
2 21 1 0 0 0 0
2 54 1 0 0 0 0
3 21 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 23 1 0 0 0 0
4 24 1 0 0 0 0
5 7 1 0 0 0 0
5 25 1 0 0 0 0
5 26 1 0 0 0 0
6 8 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 11 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 12 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 37 1 0 0 0 0
11 38 1 0 0 0 0
11 39 1 0 0 0 0
12 13 2 0 0 0 0
12 40 1 0 0 0 0
13 14 1 0 0 0 0
13 41 1 0 0 0 0
14 15 1 0 0 0 0
14 42 1 0 0 0 0
14 43 1 0 0 0 0
15 19 2 0 0 0 0
15 46 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 44 1 0 0 0 0
16 45 1 0 0 0 0
17 47 1 0 0 0 0
17 48 1 0 0 0 0
18 21 1 0 0 0 0
18 49 1 0 0 0 0
18 50 1 0 0 0 0
19 20 1 0 0 0 0
19 51 1 0 0 0 0
20 22 2 0 0 0 0
20 52 1 0 0 0 0
22 53 1 0 0 0 0
M END
$$$$