BQ0N5M
-OEChem-04012116212D
78 82 0 1 0 0 0 0 0999 V2000
2.8680 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 1.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7904 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.3450 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
10.7282 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.9244 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.2641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4602 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4602 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1923 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1923 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 2.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0583 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4592 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7316 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5287 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7841 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3856 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4636 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2607 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2607 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4636 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9403 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3388 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8747 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4762 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9995 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9928 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1957 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -0.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 2.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9233 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7292 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7893 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7063 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9463 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 0.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 0.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -0.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4918 2.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 3.4891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2518 2.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0583 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3273 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
1 37 1 0 0 0 0
2 27 1 0 0 0 0
2 38 1 0 0 0 0
3 28 1 0 0 0 0
3 67 1 0 0 0 0
4 7 1 0 0 0 0
4 78 1 0 0 0 0
5 9 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 19 1 0 0 0 0
7 39 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 40 1 0 0 0 0
9 41 1 0 0 0 0
9 42 1 0 0 0 0
10 12 1 0 0 0 0
10 43 1 0 0 0 0
10 44 1 0 0 0 0
11 13 1 0 0 0 0
11 45 1 0 0 0 0
11 46 1 0 0 0 0
12 47 1 0 0 0 0
12 48 1 0 0 0 0
13 49 1 0 0 0 0
13 50 1 0 0 0 0
14 16 1 0 0 0 0
14 20 1 0 0 0 0
14 51 1 0 0 0 0
15 17 1 0 0 0 0
15 52 1 0 0 0 0
15 53 1 0 0 0 0
16 18 1 0 0 0 0
16 21 2 0 0 0 0
17 18 1 0 0 0 0
17 54 1 0 0 0 0
17 55 1 0 0 0 0
18 22 2 0 0 0 0
19 23 1 0 0 0 0
19 56 1 0 0 0 0
19 57 1 0 0 0 0
20 24 2 0 0 0 0
20 25 1 0 0 0 0
21 26 1 0 0 0 0
21 58 1 0 0 0 0
22 27 1 0 0 0 0
22 59 1 0 0 0 0
23 28 2 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
24 60 1 0 0 0 0
25 31 2 0 0 0 0
25 61 1 0 0 0 0
26 27 2 0 0 0 0
28 34 1 0 0 0 0
29 33 2 0 0 0 0
29 62 1 0 0 0 0
30 32 2 0 0 0 0
30 63 1 0 0 0 0
31 32 1 0 0 0 0
31 64 1 0 0 0 0
32 65 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 0 0 0 0
34 35 2 0 0 0 0
34 39 1 0 0 0 0
35 66 1 0 0 0 0
36 68 1 0 0 0 0
36 69 1 0 0 0 0
36 70 1 0 0 0 0
37 71 1 0 0 0 0
37 72 1 0 0 0 0
37 73 1 0 0 0 0
38 74 1 0 0 0 0
38 75 1 0 0 0 0
38 76 1 0 0 0 0
39 77 1 0 0 0 0
M END
$$$$