B8I3QB
-OEChem-04022113133D
34 35 0 1 0 0 0 0 0999 V2000
5.8574 -0.6057 0.1628 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.2525 1.5611 -0.9795 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 0.9064 -0.0905 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0702 1.3700 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9749 -3.1479 0.1886 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 -1.2409 -0.5323 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8225 0.0047 1.0574 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4953 -2.0023 0.3096 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0544 0.4330 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0207 -0.8797 -0.2661 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4436 0.3582 0.1675 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3857 -0.3446 -1.4493 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3428 1.6763 -0.0491 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0170 1.7797 -0.2639 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7335 1.9696 1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4094 2.0306 1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8678 0.5550 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4243 0.3852 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4000 -0.7281 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9817 -1.9267 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4095 -2.0604 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1345 -0.0934 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9829 2.5018 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4652 2.6702 -0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2784 2.1272 2.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2767 2.2416 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8348 0.2117 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5557 -0.2768 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3661 -0.6460 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0039 -0.9358 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4414 -2.8067 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5597 1.3587 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6745 0.6178 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0773 -1.0188 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 8 2 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
2 13 1 0 0 0 0
2 14 1 0 0 0 0
3 17 1 0 0 0 0
3 22 1 0 0 0 0
4 18 2 0 0 0 0
5 21 2 0 0 0 0
6 22 2 0 0 0 0
9 13 1 0 0 0 0
9 18 1 0 0 0 0
9 19 1 0 0 0 0
10 18 1 0 0 0 0
10 21 1 0 0 0 0
10 30 1 0 0 0 0
11 22 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 15 1 0 0 0 0
13 23 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
14 24 1 0 0 0 0
15 16 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
17 28 1 0 0 0 0
19 20 2 0 0 0 0
19 29 1 0 0 0 0
20 21 1 0 0 0 0
20 31 1 0 0 0 0
M END
$$$$