BCS9L3
-OEChem-04012119282D
46 49 0 1 0 0 0 0 0999 V2000
4.4487 -0.0908 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.0265 -3.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 3.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -0.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 0.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -1.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 0.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.4092 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -1.8955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.4037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 1.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 2.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -3.0523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3147 -0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -2.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2327 -2.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 3.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 1.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 1.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -0.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.5345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 1.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 2.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0016 -3.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -2.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -3.4657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8523 -2.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1453 -2.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 3.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 4.1809 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 16 1 0 0 0 0
2 15 1 0 0 0 0
2 18 1 0 0 0 0
3 14 1 0 0 0 0
3 26 1 0 0 0 0
6 24 2 0 0 0 0
7 25 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 17 1 0 0 0 0
9 19 1 0 0 0 0
9 24 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 1 0 0 0
10 27 1 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 13 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 17 1 1 0 0 0
15 18 1 0 0 0 0
15 36 1 0 0 0 0
16 21 2 0 0 0 0
16 22 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 20 2 0 0 0 0
19 23 1 0 0 0 0
20 21 1 0 0 0 0
20 25 1 0 0 0 0
21 41 1 0 0 0 0
22 23 2 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
24 25 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
M END
$$$$