B29EDT
-OEChem-04022107582D
68 71 0 1 0 0 0 0 0999 V2000
6.2781 2.4015 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.9854 3.4777 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.5105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.3765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 1.9891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 0.3555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.2942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6783 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -2.2425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2619 -0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -3.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.5105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6318 2.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -3.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9639 3.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 4.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2746 4.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2531 4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2908 0.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 -1.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 -1.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0719 -1.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9519 -1.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 -1.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6419 -2.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -2.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7144 1.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6419 -3.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 -2.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8819 -0.5105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8819 -3.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2249 -1.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0719 -1.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2988 -1.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4519 0.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 -5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 -0.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3819 0.3555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 0.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5276 4.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8605 5.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4457 5.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 33 1 0 0 0 0
2 34 1 0 0 0 0
3 16 2 0 0 0 0
4 17 2 0 0 0 0
5 24 2 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 16 1 0 0 0 0
12 7 1 1 0 0 0
7 24 1 0 0 0 0
7 44 1 0 0 0 0
8 17 1 0 0 0 0
8 28 1 0 0 0 0
8 52 1 0 0 0 0
27 9 1 1 0 0 0
9 35 1 0 0 0 0
9 61 1 0 0 0 0
10 13 1 0 0 0 0
10 17 1 1 0 0 0
10 39 1 0 0 0 0
11 14 1 0 0 0 0
11 40 1 0 0 0 0
11 41 1 0 0 0 0
12 15 1 0 0 0 0
12 16 1 0 0 0 0
12 42 1 0 0 0 0
13 14 1 0 0 0 0
13 18 2 0 0 0 0
14 20 2 0 0 0 0
15 19 1 0 0 0 0
15 21 1 6 0 0 0
15 43 1 0 0 0 0
18 22 1 0 0 0 0
18 45 1 0 0 0 0
19 25 2 0 0 0 0
19 26 1 0 0 0 0
20 23 1 0 0 0 0
20 46 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
22 23 2 0 0 0 0
22 50 1 0 0 0 0
23 51 1 0 0 0 0
24 27 1 0 0 0 0
25 29 1 0 0 0 0
25 53 1 0 0 0 0
26 30 2 0 0 0 0
26 54 1 0 0 0 0
27 31 1 0 0 0 0
27 55 1 0 0 0 0
28 33 2 0 0 0 0
28 34 1 0 0 0 0
29 32 2 0 0 0 0
29 56 1 0 0 0 0
30 32 1 0 0 0 0
30 57 1 0 0 0 0
31 58 1 0 0 0 0
31 59 1 0 0 0 0
31 60 1 0 0 0 0
32 62 1 0 0 0 0
33 36 1 0 0 0 0
34 37 2 0 0 0 0
35 63 1 0 0 0 0
35 64 1 0 0 0 0
35 65 1 0 0 0 0
36 38 2 0 0 0 0
36 66 1 0 0 0 0
37 38 1 0 0 0 0
37 67 1 0 0 0 0
38 68 1 0 0 0 0
M END
$$$$