B3KW9B
-OEChem-04022112423D
40 43 0 0 0 0 0 0 0999 V2000
-2.0648 -2.7596 0.0526 S 0 0 0 0 0 0 0 0 0 0 0 0
4.1127 3.1685 -0.1207 S 0 0 0 0 0 0 0 0 0 0 0 0
-6.1392 0.9938 0.0027 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.9006 2.4489 1.0399 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.9196 2.3943 -1.1281 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5659 3.3212 -1.4966 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7512 4.3458 0.6559 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8720 -0.1914 -0.0066 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5112 0.9965 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0212 -0.7461 0.0276 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5463 -0.6156 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5919 0.3102 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4757 -1.9682 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7995 -1.1952 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7117 -2.8223 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7576 2.0680 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5100 0.2565 -1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7567 1.2429 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5927 1.1353 -1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8396 2.1217 0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7936 0.6054 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6077 -2.7152 1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9475 -3.7434 -0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4000 2.3094 0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8954 1.5763 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7395 -3.5294 1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0792 -4.5578 -0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 -4.4505 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3956 -0.4579 -1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0551 1.2945 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2982 1.0731 -1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9527 2.8340 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4383 -2.0090 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2674 -3.8371 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2829 2.9520 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0624 2.1079 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6281 1.3798 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4364 -3.4470 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2641 -5.2737 -1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8566 -5.0843 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
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2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 16 1 0 0 0 0
2 24 1 0 0 0 0
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5 25 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
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9 21 2 0 0 0 0
10 14 2 0 0 0 0
10 21 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 15 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 19 1 0 0 0 0
17 29 1 0 0 0 0
18 20 2 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
20 32 1 0 0 0 0
21 25 1 0 0 0 0
22 26 1 0 0 0 0
22 33 1 0 0 0 0
23 27 2 0 0 0 0
23 34 1 0 0 0 0
24 35 1 0 0 0 0
24 36 1 0 0 0 0
24 37 1 0 0 0 0
26 28 2 0 0 0 0
26 38 1 0 0 0 0
27 28 1 0 0 0 0
27 39 1 0 0 0 0
28 40 1 0 0 0 0
M END
$$$$