D0F8DL
-OEChem-10121500352D
43 46 0 1 0 0 0 0 0999 V2000
4.8511 -4.1374 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0
2.0000 4.6374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.7172 -4.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6602 0.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0421 0.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1145 3.8284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3511 1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3511 1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8511 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8511 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9389 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9851 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7172 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 3.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7688 2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8511 -3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9851 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7172 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5322 3.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9334 2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 2.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1200 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5212 2.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9851 -4.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2498 0.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4482 -1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2541 -1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7867 3.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5167 1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4482 -2.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2541 -2.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9156 3.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1856 1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8345 4.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5644 2.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8678 4.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1378 2.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6751 -4.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4482 -4.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2951 -5.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 17 1 0 0 0 0
1 27 1 0 0 0 0
2 24 1 0 0 0 0
4 7 1 0 0 0 0
4 9 1 0 0 0 0
4 28 1 0 0 0 0
5 8 1 0 0 0 0
5 9 2 0 0 0 0
6 25 2 0 0 0 0
6 26 1 0 0 0 0
7 8 2 0 0 0 0
7 12 1 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 18 1 0 0 0 0
13 29 1 0 0 0 0
14 19 2 0 0 0 0
14 30 1 0 0 0 0
15 22 1 0 0 0 0
15 31 1 0 0 0 0
16 23 2 0 0 0 0
16 32 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
20 25 1 0 0 0 0
20 35 1 0 0 0 0
21 26 2 0 0 0 0
21 36 1 0 0 0 0
22 24 2 0 0 0 0
22 37 1 0 0 0 0
23 24 1 0 0 0 0
23 38 1 0 0 0 0
25 39 1 0 0 0 0
26 40 1 0 0 0 0
27 41 1 0 0 0 0
27 42 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$