B9YCP8
-OEChem-04042103593D
53 55 0 1 0 0 0 0 0999 V2000
2.0600 1.9013 0.9695 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 3.3470 0.9027 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6965 1.2560 2.1020 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 -2.1323 0.4643 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2459 3.0178 -1.0164 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2701 1.0395 -0.6193 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7450 1.3116 -0.4731 N 0 0 1 0 0 0 0 0 0 0 0 0
-3.4827 -0.1265 0.4271 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0460 -0.1528 -0.5583 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0097 -0.4472 -2.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 1.7362 -1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8831 0.4472 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3981 -0.4595 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4222 1.2518 0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7991 -1.9120 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5687 2.0049 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1337 -0.0211 1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8253 1.4425 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1281 0.1858 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1521 -0.5668 1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1162 -1.3543 0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0568 1.9639 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1269 0.9009 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8898 -2.4905 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5830 -3.7875 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5017 -3.4722 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3903 -4.8838 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2645 -0.7423 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8148 -1.5012 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9476 -0.1577 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8465 2.3627 -2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2051 2.3251 -1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 0.6035 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9144 0.0112 -2.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4033 -0.2449 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1736 0.1942 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8822 -2.1458 -1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0533 -2.5769 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3835 2.9931 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9046 -0.6045 1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3556 -1.5475 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7592 -1.6252 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1934 -1.1661 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8150 -2.6758 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2583 -2.1854 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6556 -3.6079 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1834 -4.1236 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4701 -3.5847 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6251 -3.6984 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7938 -4.1718 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3281 -5.1076 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8110 -4.5887 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8912 -5.8020 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 7 1 0 0 0 0
1 14 1 0 0 0 0
4 15 1 0 0 0 0
4 26 1 0 0 0 0
5 22 2 0 0 0 0
6 23 2 0 0 0 0
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7 11 1 0 0 0 0
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9 10 1 0 0 0 0
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9 28 1 0 0 0 0
10 12 1 0 0 0 0
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10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 31 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 35 1 0 0 0 0
13 36 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 37 1 0 0 0 0
15 38 1 0 0 0 0
16 18 1 0 0 0 0
16 39 1 0 0 0 0
17 20 2 0 0 0 0
17 40 1 0 0 0 0
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24 25 1 0 0 0 0
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25 27 1 0 0 0 0
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26 48 1 0 0 0 0
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26 50 1 0 0 0 0
27 51 1 0 0 0 0
27 52 1 0 0 0 0
27 53 1 0 0 0 0
M END
$$$$