B1RU3Y
-OEChem-04012119282D
55 58 0 1 0 0 0 0 0999 V2000
4.4487 0.3599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 3.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -0.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 1.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 1.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.8599 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -1.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.8544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9500 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9285 -2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2392 -3.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2177 -3.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5283 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 1.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 0.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.7355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 1.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 2.7558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -2.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -3.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 3.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 4.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 4.6315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1788 -4.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7574 -1.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7639 -4.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3426 -1.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6317 -2.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1143 -4.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1350 -4.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 7 1 0 0 0 0
1 14 1 0 0 0 0
2 13 1 0 0 0 0
2 23 1 0 0 0 0
5 20 2 0 0 0 0
6 21 2 0 0 0 0
7 9 1 0 0 0 0
7 11 1 0 0 0 0
8 18 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 1 0 0 0
9 32 1 0 0 0 0
10 12 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 12 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 39 1 0 0 0 0
13 40 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
15 41 1 0 0 0 0
16 19 2 0 0 0 0
16 42 1 0 0 0 0
17 18 2 0 0 0 0
17 20 1 0 0 0 0
18 19 1 0 0 0 0
19 43 1 0 0 0 0
20 21 1 0 0 0 0
22 24 1 0 0 0 0
22 44 1 0 0 0 0
22 45 1 0 0 0 0
23 46 1 0 0 0 0
23 47 1 0 0 0 0
23 48 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 27 1 0 0 0 0
25 49 1 0 0 0 0
26 28 2 0 0 0 0
26 50 1 0 0 0 0
27 29 2 0 0 0 0
27 51 1 0 0 0 0
28 29 1 0 0 0 0
28 52 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 53 1 0 0 0 0
31 54 1 0 0 0 0
31 55 1 0 0 0 0
M END
$$$$