BI9RC5
-OEChem-04012113552D
44 49 0 1 0 0 0 0 0999 V2000
2.4608 -0.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7730 0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 1.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9992 3.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8725 -1.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8725 -2.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3548 -1.5332 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.2208 -1.0332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4118 -0.4455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0868 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0298 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7208 0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3548 -2.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0868 -2.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7208 0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 -3.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9808 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4888 -2.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1862 1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9808 -3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2555 1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8869 -1.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8869 -2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7000 2.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7416 2.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4804 -2.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9734 -0.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7442 -2.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1428 -3.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8223 -3.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6194 -3.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9736 -0.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -1.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9518 -2.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7988 -2.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9736 -3.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8754 1.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0537 2.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8607 3.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4515 2.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9412 -2.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9412 -1.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9 1 1 1 0 0 0
1 39 1 0 0 0 0
2 11 2 0 0 0 0
3 19 1 0 0 0 0
3 26 1 0 0 0 0
4 24 1 0 0 0 0
4 26 1 0 0 0 0
5 22 1 0 0 0 0
5 27 1 0 0 0 0
6 23 1 0 0 0 0
6 27 1 0 0 0 0
8 7 1 6 0 0 0
7 13 1 0 0 0 0
7 18 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
9 28 1 0 0 0 0
10 14 1 0 0 0 0
10 17 2 0 0 0 0
11 15 1 0 0 0 0
12 15 2 0 0 0 0
12 19 1 0 0 0 0
13 16 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 16 1 0 0 0 0
14 20 2 0 0 0 0
15 21 1 0 0 0 0
16 31 1 0 0 0 0
16 32 1 0 0 0 0
17 22 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
19 24 2 0 0 0 0
20 23 1 0 0 0 0
20 37 1 0 0 0 0
21 25 2 0 0 0 0
21 38 1 0 0 0 0
22 23 2 0 0 0 0
24 25 1 0 0 0 0
25 40 1 0 0 0 0
26 41 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
27 44 1 0 0 0 0
M END
$$$$