B3NQB2
-OEChem-04022107422D
75 78 0 0 0 0 0 0 0999 V2000
7.8003 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -5.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3198 -2.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5381 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -7.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9965 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3984 -6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.5945 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.4606 5.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2644 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1304 5.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3984 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3984 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2644 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -5.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 -3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 -4.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1304 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9965 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7285 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8625 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9965 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7285 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8625 7.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5945 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7444 -0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1429 -0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4543 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0558 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3203 1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9218 0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8784 -2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2769 -1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6104 0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0090 1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8013 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0524 4.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6538 3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -5.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 -3.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2634 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0693 -4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5935 5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8625 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4595 7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7865 -1.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8625 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1960 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9931 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1294 -7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9353 -6.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5945 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9975 5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 22 1 0 0 0 0
2 23 1 0 0 0 0
2 26 1 0 0 0 0
3 20 2 0 0 0 0
4 21 2 0 0 0 0
5 25 2 0 0 0 0
6 29 1 0 0 0 0
6 67 1 0 0 0 0
7 32 1 0 0 0 0
7 71 1 0 0 0 0
8 36 1 0 0 0 0
8 72 1 0 0 0 0
9 35 2 0 0 0 0
10 39 1 0 0 0 0
10 73 1 0 0 0 0
11 43 1 0 0 0 0
11 74 1 0 0 0 0
12 45 1 0 0 0 0
12 75 1 0 0 0 0
13 20 1 0 0 0 0
13 28 1 0 0 0 0
13 56 1 0 0 0 0
14 35 1 0 0 0 0
14 38 1 0 0 0 0
14 64 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 46 1 0 0 0 0
15 47 1 0 0 0 0
16 18 1 0 0 0 0
16 48 1 0 0 0 0
16 49 1 0 0 0 0
17 19 1 0 0 0 0
17 50 1 0 0 0 0
17 51 1 0 0 0 0
18 21 1 0 0 0 0
18 52 1 0 0 0 0
18 53 1 0 0 0 0
19 20 1 0 0 0 0
19 54 1 0 0 0 0
19 55 1 0 0 0 0
22 23 2 0 0 0 0
22 25 1 0 0 0 0
23 27 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 29 2 0 0 0 0
26 30 2 0 0 0 0
27 33 2 0 0 0 0
27 34 1 0 0 0 0
28 35 1 0 0 0 0
28 57 1 0 0 0 0
28 58 1 0 0 0 0
29 31 1 0 0 0 0
30 32 1 0 0 0 0
30 59 1 0 0 0 0
31 32 2 0 0 0 0
31 60 1 0 0 0 0
33 36 1 0 0 0 0
33 61 1 0 0 0 0
34 37 2 0 0 0 0
34 62 1 0 0 0 0
36 39 2 0 0 0 0
37 39 1 0 0 0 0
37 63 1 0 0 0 0
38 41 2 0 0 0 0
38 42 1 0 0 0 0
40 41 1 0 0 0 0
40 43 2 0 0 0 0
40 45 1 0 0 0 0
41 65 1 0 0 0 0
42 44 2 0 0 0 0
42 66 1 0 0 0 0
43 44 1 0 0 0 0
44 68 1 0 0 0 0
45 69 1 0 0 0 0
45 70 1 0 0 0 0
M END
$$$$