B40NAQ
-OEChem-04012116422D
45 48 0 1 0 0 0 0 0999 V2000
4.8885 0.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6534 2.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0916 -2.6534 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2255 -2.1534 0.0000 N 0 3 2 0 0 0 0 0 0 0 0 0
6.2493 -0.1263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7341 0.7959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2748 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2255 -0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4664 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1939 1.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7346 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1942 1.7320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6600 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5992 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4664 -1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2493 -2.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5992 -2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3746 -3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2732 1.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2266 -0.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8711 -0.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8300 -0.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2255 0.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 2.3004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6021 1.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2276 0.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1905 1.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8596 2.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1447 -1.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1447 -0.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7646 -2.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5183 -2.9348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5992 -2.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7615 -3.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4670 -3.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9877 -3.0498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3188 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2875 0.0000 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
13 2 1 1 0 0 0
2 42 1 0 0 0 0
5 3 1 1 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 6 0 0 0
6 10 1 0 0 0 0
7 11 1 0 0 0 0
7 23 1 6 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
$$$$