D0I9PF
-OEChem-10191522012D
46 48 0 1 0 0 0 0 0999 V2000
2.0280 -2.9055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 0.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6057 2.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2045 3.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4411 1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.9055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -1.3177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 2.1649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6222 3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0234 2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6276 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2100 3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2209 4.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0399 2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6112 2.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8032 4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8087 4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4123 2.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8525 1.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5807 1.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8245 1.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8266 3.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1588 -1.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6043 4.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5383 2.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6754 1.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5414 2.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8956 0.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1676 5.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5565 5.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1630 -3.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3571 -4.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1630 -4.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -5.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9702 3.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 14 2 0 0 0 0
3 19 1 0 0 0 0
3 46 1 0 0 0 0
4 19 2 0 0 0 0
5 21 2 0 0 0 0
9 6 1 6 0 0 0
6 14 1 0 0 0 0
6 32 1 0 0 0 0
7 8 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 15 1 0 0 0 0
8 34 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 29 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
11 19 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 20 1 0 0 0 0
13 33 1 0 0 0 0
14 15 1 0 0 0 0
15 18 2 0 0 0 0
16 23 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 21 1 0 0 0 0
18 39 1 0 0 0 0
20 23 2 0 0 0 0
20 40 1 0 0 0 0
22 24 1 0 0 0 0
22 25 2 0 0 0 0
23 41 1 0 0 0 0
24 26 2 0 0 0 0
25 27 1 0 0 0 0
25 42 1 0 0 0 0
26 28 1 0 0 0 0
26 43 1 0 0 0 0
27 28 2 0 0 0 0
27 44 1 0 0 0 0
28 45 1 0 0 0 0
M END
$$$$