B82NPW
-OEChem-04022105593D
26 28 0 0 0 0 0 0 0999 V2000
-3.3939 0.9787 -0.0153 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0322 -1.3977 0.1469 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0243 -2.1251 -0.2713 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9117 -0.0021 0.0815 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4577 1.9502 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2811 1.0285 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6511 1.3807 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4887 -0.3679 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8708 -0.9196 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0231 1.5443 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5982 -1.2482 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0723 0.6543 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8656 -0.7019 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2962 -0.4481 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9962 -0.3262 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6879 2.0522 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2261 2.9464 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5385 1.9890 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 1.3872 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2054 2.6108 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 -2.3226 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3842 -1.4898 -0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6792 -0.3535 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8821 0.1826 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6586 -0.4856 -0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5957 -0.3548 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 15 1 0 0 0 0
2 13 1 0 0 0 0
2 15 1 0 0 0 0
3 9 2 0 0 0 0
4 7 1 0 0 0 0
4 9 1 0 0 0 0
4 14 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 16 1 0 0 0 0
5 17 1 0 0 0 0
6 8 1 0 0 0 0
6 10 2 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
10 12 1 0 0 0 0
10 20 1 0 0 0 0
11 13 1 0 0 0 0
11 21 1 0 0 0 0
12 13 2 0 0 0 0
14 22 1 0 0 0 0
14 23 1 0 0 0 0
14 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
M END
$$$$