B4V1GJ
-OEChem-04012114182D
50 52 0 1 0 0 0 0 0999 V2000
4.4487 0.1536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.8464 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 3.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -0.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 1.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 0.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.6536 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -1.6511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.6482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 2.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -2.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -0.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 1.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 2.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -2.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -3.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8960 -2.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3027 -2.1882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 3.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 4.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 4.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9790 -3.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5723 -4.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4435 -4.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1780 -4.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6992 -3.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 8 1 0 0 0 0
1 15 1 0 0 0 0
2 20 1 0 0 0 0
3 14 1 0 0 0 0
3 25 1 0 0 0 0
6 22 2 0 0 0 0
7 23 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 18 1 0 0 0 0
9 21 1 0 0 0 0
9 23 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 1 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 16 2 0 0 0 0
15 19 1 0 0 0 0
16 17 1 0 0 0 0
16 37 1 0 0 0 0
17 18 2 0 0 0 0
17 22 1 0 0 0 0
18 20 1 0 0 0 0
19 20 2 0 0 0 0
19 38 1 0 0 0 0
21 24 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
22 23 1 0 0 0 0
24 26 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
26 27 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
$$$$