B19EMK
-OEChem-04012115362D
48 49 0 1 0 0 0 0 0999 V2000
4.1760 -3.7316 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0269 -1.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0875 0.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8608 3.3896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7402 2.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0420 -2.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -2.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1760 -0.7316 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.6760 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6760 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0420 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6760 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1760 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4421 0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2684 1.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3818 0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1760 -2.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1478 1.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0345 2.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9742 2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8535 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9211 3.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5666 3.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 0.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4982 0.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1510 -0.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6760 0.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 0.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6760 -0.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7130 0.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4860 1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6391 1.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5790 -2.5416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6858 1.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4894 -0.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2521 0.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3285 1.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4550 1.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1332 4.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3385 3.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7091 3.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1771 3.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4589 4.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9560 3.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 2 0 0 0 0
2 13 2 0 0 0 0
3 20 1 0 0 0 0
3 23 1 0 0 0 0
4 21 1 0 0 0 0
4 24 1 0 0 0 0
5 22 1 0 0 0 0
5 25 1 0 0 0 0
6 13 1 0 0 0 0
6 19 1 0 0 0 0
6 35 1 0 0 0 0
7 12 2 0 0 0 0
7 19 1 0 0 0 0
8 12 1 0 0 0 0
8 38 1 0 0 0 0
8 39 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
10 14 1 0 0 0 0
10 15 1 0 0 0 0
10 26 1 0 0 0 0
11 16 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
14 31 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 17 2 0 0 0 0
16 18 1 0 0 0 0
17 21 1 0 0 0 0
17 36 1 0 0 0 0
18 20 2 0 0 0 0
18 37 1 0 0 0 0
20 22 1 0 0 0 0
21 22 2 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
M END
$$$$