B54NHQ
-OEChem-04022100262D
47 49 0 0 0 0 0 0 0999 V2000
6.4282 5.1348 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.6622 5.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.6622 4.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6622 3.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.6622 4.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.3050 2.7259 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.6622 3.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3432 -3.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7445 -2.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6622 -0.5080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1622 -2.0469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6622 3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6622 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6622 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6622 4.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6622 3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5282 1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5282 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1622 -2.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 -2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9310 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5243 -5.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0652 2.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2592 2.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0652 0.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2592 0.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0609 -0.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3522 2.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2879 -2.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1550 0.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7472 -1.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6142 1.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4450 -4.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3617 -4.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9579 -5.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2721 -6.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0907 -5.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 16 1 0 0 0 0
3 16 1 0 0 0 0
4 17 1 0 0 0 0
5 17 1 0 0 0 0
6 17 1 0 0 0 0
7 13 1 0 0 0 0
7 38 1 0 0 0 0
8 28 1 0 0 0 0
8 31 1 0 0 0 0
9 28 2 0 0 0 0
10 15 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
11 22 2 0 0 0 0
11 24 1 0 0 0 0
12 29 2 0 0 0 0
12 30 1 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
13 17 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 20 2 0 0 0 0
15 21 1 0 0 0 0
18 20 1 0 0 0 0
18 33 1 0 0 0 0
19 21 2 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
22 25 1 0 0 0 0
23 24 2 0 0 0 0
23 37 1 0 0 0 0
24 28 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
26 29 1 0 0 0 0
26 39 1 0 0 0 0
27 30 2 0 0 0 0
27 40 1 0 0 0 0
29 41 1 0 0 0 0
30 42 1 0 0 0 0
31 32 1 0 0 0 0
31 43 1 0 0 0 0
31 44 1 0 0 0 0
32 45 1 0 0 0 0
32 46 1 0 0 0 0
32 47 1 0 0 0 0
M END
$$$$