B8PG9S
-OEChem-04012115042D
88 92 0 1 0 0 0 0 0999 V2000
4.1221 1.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4564 2.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7932 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3523 -1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6723 0.7528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7883 -0.8355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6246 3.3664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2256 3.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3657 4.3324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8456 2.5008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1024 5.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3990 4.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6746 3.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3596 3.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7256 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0165 1.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6748 0.6831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2364 -0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2388 -0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2315 -0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8004 -1.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6796 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2291 -0.0065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.6674 0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6650 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3499 -1.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1034 1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2242 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9091 -2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4707 -3.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4306 -3.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0299 -4.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9668 -4.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5878 -5.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9067 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5493 -5.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0275 -4.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4659 -3.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1156 1.5121 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
2.8446 2.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1457 5.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 5.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7155 5.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4040 4.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0133 4.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1891 3.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0496 3.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1773 4.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6696 4.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2626 2.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 1.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 2.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3632 1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5025 1.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6698 2.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9466 1.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8324 -0.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1716 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9441 1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6203 -0.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3577 -1.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5287 -1.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2432 -0.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1656 0.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3329 1.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1936 0.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9573 -0.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0715 1.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7323 1.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4068 -0.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2835 1.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5461 2.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3752 2.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6606 1.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7382 0.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5709 -0.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7102 -0.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8364 -3.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5034 -2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5197 -4.8810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4671 -4.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1859 -5.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5293 -5.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7024 -5.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9835 -5.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1784 -1.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3742 -4.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0843 -3.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 39 1 0 0 0 0
2 13 1 0 0 0 0
2 39 1 0 0 0 0
3 20 2 0 0 0 0
4 26 2 0 0 0 0
17 5 1 1 0 0 0
5 20 1 0 0 0 0
5 59 1 0 0 0 0
23 6 1 6 0 0 0
6 26 1 0 0 0 0
6 70 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 40 1 1 0 0 0
8 9 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 41 1 6 0 0 0
10 13 1 0 0 0 0
10 16 1 6 0 0 0
11 42 1 0 0 0 0
11 43 1 0 0 0 0
12 13 1 0 0 0 0
12 44 1 0 0 0 0
12 45 1 0 0 0 0
13 46 1 0 0 0 0
14 47 1 0 0 0 0
14 48 1 0 0 0 0
14 49 1 0 0 0 0
15 50 1 0 0 0 0
15 51 1 0 0 0 0
15 52 1 0 0 0 0
16 53 1 0 0 0 0
16 54 1 0 0 0 0
16 55 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
17 56 1 0 0 0 0
18 19 1 0 0 0 0
18 57 1 0 0 0 0
18 58 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
19 60 1 0 0 0 0
20 23 1 0 0 0 0
21 61 1 0 0 0 0
21 62 1 0 0 0 0
21 63 1 0 0 0 0
22 64 1 0 0 0 0
22 65 1 0 0 0 0
22 66 1 0 0 0 0
23 24 1 0 0 0 0
23 67 1 0 0 0 0
24 25 1 0 0 0 0
24 68 1 0 0 0 0
24 69 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
25 71 1 0 0 0 0
26 29 1 0 0 0 0
27 72 1 0 0 0 0
27 73 1 0 0 0 0
27 74 1 0 0 0 0
28 75 1 0 0 0 0
28 76 1 0 0 0 0
28 77 1 0 0 0 0
29 30 1 0 0 0 0
29 35 2 0 0 0 0
30 31 1 0 0 0 0
30 32 2 0 0 0 0
31 33 1 0 0 0 0
31 78 1 0 0 0 0
31 79 1 0 0 0 0
32 34 1 0 0 0 0
32 37 1 0 0 0 0
33 36 1 0 0 0 0
33 80 1 0 0 0 0
33 81 1 0 0 0 0
34 36 1 0 0 0 0
34 82 1 0 0 0 0
34 83 1 0 0 0 0
35 38 1 0 0 0 0
35 86 1 0 0 0 0
36 84 1 0 0 0 0
36 85 1 0 0 0 0
37 38 2 0 0 0 0
37 87 1 0 0 0 0
38 88 1 0 0 0 0
M END
$$$$