BF63VM
-OEChem-04022107092D
53 55 0 1 0 0 0 0 0999 V2000
4.4487 -0.1947 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.2918 5.2635 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.8820 -5.2635 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 2.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -1.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 0.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -1.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.3053 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -1.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.2998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 1.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 3.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -3.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -4.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 4.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -4.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 1.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 1.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -0.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 1.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 2.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -2.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -3.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -3.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0851 3.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 3.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8960 -3.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3027 -2.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9790 -4.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5723 -4.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2201 5.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9738 4.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1852 -4.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5919 -3.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 9 1 0 0 0 0
1 16 1 0 0 0 0
2 28 1 0 0 0 0
3 29 1 0 0 0 0
4 15 1 0 0 0 0
4 24 1 0 0 0 0
7 23 2 0 0 0 0
8 25 2 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
10 20 1 0 0 0 0
10 22 1 0 0 0 0
10 25 1 0 0 0 0
11 12 1 0 0 0 0
11 15 1 1 0 0 0
11 30 1 0 0 0 0
12 14 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 14 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 37 1 0 0 0 0
15 38 1 0 0 0 0
16 17 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
18 20 2 0 0 0 0
18 23 1 0 0 0 0
19 21 2 0 0 0 0
19 40 1 0 0 0 0
20 21 1 0 0 0 0
21 41 1 0 0 0 0
22 26 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
23 25 1 0 0 0 0
24 28 1 0 0 0 0
24 44 1 0 0 0 0
24 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 29 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
29 52 1 0 0 0 0
29 53 1 0 0 0 0
M END
$$$$