B2CTK8
-OEChem-04012113582D
72 76 0 1 0 0 0 0 0999 V2000
7.5457 -1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3402 -0.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5637 -3.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2566 -0.2942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3402 1.3765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9209 -1.7828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6067 -3.0652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8402 0.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2566 1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3103 1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3103 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5672 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8402 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8994 -1.9891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4443 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4443 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5783 1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2100 -2.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5783 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3402 1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2530 -2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1885 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5422 -3.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2745 -2.3209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8402 2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8402 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4992 -4.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8528 -4.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9639 -1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8314 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3402 3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8402 2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8402 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3402 1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9173 -4.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3402 3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8402 3.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8402 3.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3402 4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3402 4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1219 -0.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7939 1.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0055 1.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7068 -1.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4443 2.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4443 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0414 1.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0414 -0.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0302 1.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7283 -1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6026 -2.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9355 -3.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4671 -2.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5302 -0.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1059 -4.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4388 -5.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 -1.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7712 -0.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3745 -1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0240 -5.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1502 2.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1502 -0.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9602 1.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3280 -4.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1100 -4.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5067 -3.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0302 2.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4602 3.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2202 3.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6502 5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0302 5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 13 2 0 0 0 0
3 21 2 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 13 1 0 0 0 0
5 20 1 0 0 0 0
5 49 1 0 0 0 0
14 6 1 6 0 0 0
6 21 1 0 0 0 0
6 50 1 0 0 0 0
24 7 1 1 0 0 0
7 35 1 0 0 0 0
7 61 1 0 0 0 0
8 9 1 0 0 0 0
8 13 1 1 0 0 0
8 41 1 0 0 0 0
9 10 1 0 0 0 0
9 42 1 0 0 0 0
9 43 1 0 0 0 0
10 11 1 0 0 0 0
10 15 2 0 0 0 0
11 16 2 0 0 0 0
12 14 1 0 0 0 0
14 18 1 0 0 0 0
14 44 1 0 0 0 0
15 17 1 0 0 0 0
15 45 1 0 0 0 0
16 19 1 0 0 0 0
16 46 1 0 0 0 0
17 19 2 0 0 0 0
17 47 1 0 0 0 0
18 22 2 0 0 0 0
18 23 1 0 0 0 0
19 48 1 0 0 0 0
20 25 1 0 0 0 0
20 26 2 0 0 0 0
21 24 1 0 0 0 0
22 27 1 0 0 0 0
22 51 1 0 0 0 0
23 28 2 0 0 0 0
23 52 1 0 0 0 0
24 29 1 0 0 0 0
24 53 1 0 0 0 0
25 31 1 0 0 0 0
25 32 2 0 0 0 0
26 33 1 0 0 0 0
26 54 1 0 0 0 0
27 30 2 0 0 0 0
27 55 1 0 0 0 0
28 30 1 0 0 0 0
28 56 1 0 0 0 0
29 57 1 0 0 0 0
29 58 1 0 0 0 0
29 59 1 0 0 0 0
30 60 1 0 0 0 0
31 36 2 0 0 0 0
31 37 1 0 0 0 0
32 34 1 0 0 0 0
32 62 1 0 0 0 0
33 34 2 0 0 0 0
33 63 1 0 0 0 0
34 64 1 0 0 0 0
35 65 1 0 0 0 0
35 66 1 0 0 0 0
35 67 1 0 0 0 0
36 38 1 0 0 0 0
36 68 1 0 0 0 0
37 39 2 0 0 0 0
37 69 1 0 0 0 0
38 40 2 0 0 0 0
38 70 1 0 0 0 0
39 40 1 0 0 0 0
39 71 1 0 0 0 0
40 72 1 0 0 0 0
M END
$$$$