B8H1NF
-OEChem-04012118102D
51 53 0 1 0 0 0 0 0999 V2000
2.2380 3.6061 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.2268 3.9050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.1002 5.5575 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.8063 -3.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0546 -0.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1235 -3.6914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6235 -1.5008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9251 1.2021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1235 -4.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6235 -5.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6235 -5.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2225 -3.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0245 -3.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2470 -2.2826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6235 -1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2219 -2.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0574 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4940 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9279 1.1274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3646 1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7985 2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2352 3.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7957 2.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2296 3.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6691 4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6663 4.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7224 -4.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0409 -5.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5158 -6.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7312 -6.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2061 -5.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6025 -3.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0846 -3.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4518 -1.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6134 -1.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4414 -2.5516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7614 -0.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0649 -1.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3599 -2.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8264 -1.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0839 -1.4557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9906 0.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0502 -0.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2772 0.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8612 2.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9208 1.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2744 0.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1941 1.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1450 2.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3198 5.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 25 1 0 0 0 0
3 27 1 0 0 0 0
4 13 2 0 0 0 0
5 18 2 0 0 0 0
6 9 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
7 14 1 0 0 0 0
7 16 1 0 0 0 0
7 18 1 0 0 0 0
20 8 1 1 0 0 0
8 48 1 0 0 0 0
8 49 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 15 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 14 1 0 0 0 0
14 17 1 6 0 0 0
14 35 1 0 0 0 0
15 16 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
20 21 1 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
23 26 2 0 0 0 0
24 25 1 0 0 0 0
24 50 1 0 0 0 0
25 27 2 0 0 0 0
26 27 1 0 0 0 0
26 51 1 0 0 0 0
M END
$$$$