B40NAQ
-OEChem-04022104533D
45 48 0 1 0 0 0 0 0999 V2000
-1.9136 0.2238 -0.8864 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4565 2.3140 0.7134 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5968 0.0542 0.5298 O 0 5 0 0 0 0 0 0 0 0 0 0
-2.7806 -2.4488 -0.4364 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3295 -0.0820 -0.0348 N 0 3 2 0 0 0 0 0 0 0 0 0
0.2768 1.1663 -0.2978 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0019 1.3121 -1.1821 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2114 2.0710 0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5369 1.4491 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1484 -0.2864 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7319 2.6391 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2037 2.2274 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1557 2.8570 0.4920 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8737 1.3146 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1183 -0.7368 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 -1.1519 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4475 -0.7173 1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5347 -2.0346 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6604 -2.4776 0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 -0.9684 -1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6281 -2.9135 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1143 -3.8113 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7558 1.2209 -2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5898 3.0721 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8551 1.6869 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 2.4817 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5424 0.8180 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6192 2.6747 -1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0649 3.4543 -1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 1.2569 1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 2.8584 2.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2313 3.9366 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6713 1.6992 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9007 1.9030 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3972 -0.0089 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0250 -1.5819 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3445 -3.1897 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1710 -0.4686 -1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5133 -1.1329 -1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9162 -1.9138 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8542 -3.9525 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7041 2.5121 1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4842 -4.5002 -0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0872 -4.0223 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1458 -3.9652 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 15 1 0 0 0 0
2 13 1 0 0 0 0
2 42 1 0 0 0 0
3 5 1 0 0 0 0
4 18 1 0 0 0 0
4 22 1 0 0 0 0
5 14 1 0 0 0 0
5 17 1 0 0 0 0
5 20 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
7 11 1 0 0 0 0
7 23 1 0 0 0 0
8 12 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 14 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 15 1 0 0 0 0
10 16 2 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 13 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 18 2 0 0 0 0
16 17 1 0 0 0 0
16 19 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
18 21 1 0 0 0 0
19 21 2 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
22 43 1 0 0 0 0
22 44 1 0 0 0 0
22 45 1 0 0 0 0
M CHG 2 3 -1 5 1
M END
$$$$