D0Y2WP
-OEChem-10191522332D
52 55 0 1 0 0 0 0 0999 V2000
5.4343 -3.0503 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.1247 1.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2466 -4.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8602 3.2456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1126 -2.7456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7435 1.7558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2466 -1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6152 1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2305 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7319 2.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1126 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3588 0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3805 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0226 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8833 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6268 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4754 1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1285 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4986 -0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3472 1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3805 -2.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0306 -0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2466 -3.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4343 -1.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8828 -1.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8486 4.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8507 -2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2030 2.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3437 2.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9372 3.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5671 1.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3500 0.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1995 0.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0935 -0.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4683 2.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5057 -0.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8805 1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5687 0.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6495 -3.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2417 -0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5666 -2.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4161 -2.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1990 -1.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4686 4.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8414 4.8655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2287 4.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6838 3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4667 2.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3162 2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2307 -2.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6604 1.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 28 1 0 0 0 0
2 18 1 0 0 0 0
2 52 1 0 0 0 0
3 23 2 0 0 0 0
4 10 1 0 0 0 0
4 26 1 0 0 0 0
4 27 1 0 0 0 0
5 11 1 0 0 0 0
5 23 1 0 0 0 0
5 40 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 15 1 1 0 0 0
6 29 1 0 0 0 0
7 9 1 0 0 0 0
7 11 2 0 0 0 0
7 13 1 0 0 0 0
8 16 2 0 0 0 0
8 17 1 0 0 0 0
9 12 1 0 0 0 0
9 18 2 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 14 1 0 0 0 0
12 19 2 0 0 0 0
12 20 1 0 0 0 0
13 21 2 0 0 0 0
13 24 1 0 0 0 0
14 22 2 0 0 0 0
14 25 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
16 19 1 0 0 0 0
16 35 1 0 0 0 0
17 20 2 0 0 0 0
17 36 1 0 0 0 0
18 22 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
21 23 1 0 0 0 0
22 39 1 0 0 0 0
24 28 2 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
28 51 1 0 0 0 0
M END
$$$$