B8FR6N
-OEChem-04022103443D
28 30 0 0 0 0 0 0 0999 V2000
-0.7485 -1.8997 -0.2331 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4876 0.1300 0.7918 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6888 2.0306 -0.1655 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6471 0.0841 -0.3158 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7778 1.4981 0.9231 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3458 -0.4726 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7590 -0.4086 -1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8888 0.0811 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8281 -1.2299 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3797 0.5008 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1216 0.7716 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9547 -1.8601 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2410 0.1494 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 -1.1528 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2716 -0.6873 0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9636 1.3793 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9734 0.2135 1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4997 0.8727 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8800 0.2727 -2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1483 -1.3843 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5644 1.4798 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1815 1.7921 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8968 -2.8792 0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 -1.6677 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1809 -1.7638 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5866 2.1952 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6101 0.0020 2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3318 0.6267 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 9 1 0 0 0 0
2 18 1 0 0 0 0
2 28 1 0 0 0 0
3 18 2 0 0 0 0
4 7 1 0 0 0 0
4 15 1 0 0 0 0
4 16 1 0 0 0 0
5 16 2 0 0 0 0
5 17 1 0 0 0 0
6 7 1 0 0 0 0
6 10 2 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 9 2 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
10 21 1 0 0 0 0
11 13 2 0 0 0 0
11 22 1 0 0 0 0
12 14 2 0 0 0 0
12 23 1 0 0 0 0
13 14 1 0 0 0 0
13 18 1 0 0 0 0
14 24 1 0 0 0 0
15 17 2 0 0 0 0
15 25 1 0 0 0 0
16 26 1 0 0 0 0
17 27 1 0 0 0 0
M END
$$$$