B1UTB6
-OEChem-04012115042D
40 42 0 1 0 0 0 0 0999 V2000
2.5381 1.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 1.2327 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.0682 -0.2673 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.9343 0.2327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.0682 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4668 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6697 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1103 1.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3372 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4903 2.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4482 -1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6882 -1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 -0.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6243 -1.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3973 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2443 -2.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0693 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0693 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 40 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 9 1 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 10 1 0 0 0 0
4 8 1 0 0 0 0
4 21 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 7 2 0 0 0 0
6 12 1 0 0 0 0
7 13 1 0 0 0 0
8 11 1 0 0 0 0
8 14 2 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 17 2 0 0 0 0
11 18 1 0 0 0 0
12 16 2 0 0 0 0
12 30 1 0 0 0 0
13 15 2 0 0 0 0
13 31 1 0 0 0 0
14 19 1 0 0 0 0
14 32 1 0 0 0 0
15 16 1 0 0 0 0
16 33 1 0 0 0 0
17 20 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
19 20 2 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
M END
$$$$