B0F1SH
-OEChem-04012114572D
40 45 0 1 0 0 0 0 0999 V2000
4.5732 3.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1278 4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5740 -3.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0684 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 0.3368 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.7841 -0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 -1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 2.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 -1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 -0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 3.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5161 -0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7520 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8937 -2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7688 -2.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8334 -3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1585 4.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1420 -4.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2607 1.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8621 1.9194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 0.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -1.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2061 -0.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0530 -0.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8261 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2829 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3556 -3.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 3.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7495 4.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0344 5.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0180 -5.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 -4.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 24 1 0 0 0 0
2 16 1 0 0 0 0
2 24 1 0 0 0 0
3 22 1 0 0 0 0
3 25 1 0 0 0 0
4 23 1 0 0 0 0
4 25 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 18 1 0 0 0 0
6 9 2 0 0 0 0
6 11 1 0 0 0 0
7 8 1 0 0 0 0
7 10 2 0 0 0 0
7 12 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
10 15 1 0 0 0 0
11 13 1 0 0 0 0
11 19 2 0 0 0 0
12 16 2 0 0 0 0
13 17 1 0 0 0 0
13 21 2 0 0 0 0
14 17 2 0 0 0 0
14 28 1 0 0 0 0
15 20 2 0 0 0 0
15 29 1 0 0 0 0
16 20 1 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
19 22 1 0 0 0 0
19 34 1 0 0 0 0
20 36 1 0 0 0 0
21 23 1 0 0 0 0
21 35 1 0 0 0 0
22 23 2 0 0 0 0
24 37 1 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$