B8SRI9
-OEChem-04022102552D
40 40 0 1 0 0 0 0 0999 V2000
5.8184 2.5576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8265 4.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5178 0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9692 7.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2796 2.0576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8184 4.2897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3184 5.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2796 3.0576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2713 3.0618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2306 3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2713 2.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 3.7703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2306 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8184 2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5992 3.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5397 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3184 3.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3184 3.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8184 4.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1484 3.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4857 2.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7676 3.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9785 3.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 4.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 4.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.3543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7584 2.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3890 5.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4261 4.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7358 3.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7094 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2108 2.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9010 3.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1284 3.7528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9384 5.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 5.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5062 8.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4323 8.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 19 1 0 0 0 0
14 2 1 1 0 0 0
2 30 1 0 0 0 0
3 13 2 0 0 0 0
4 18 1 0 0 0 0
4 33 1 0 0 0 0
5 18 2 0 0 0 0
6 39 1 0 0 0 0
6 40 1 0 0 0 0
7 10 1 0 0 0 0
7 13 1 0 0 0 0
7 15 1 0 0 0 0
8 20 1 0 0 0 0
8 21 2 0 0 0 0
9 21 1 0 0 0 0
9 37 1 0 0 0 0
9 38 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 22 1 6 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
11 23 1 1 0 0 0
12 16 1 0 0 0 0
12 24 1 0 0 0 0
12 25 1 0 0 0 0
14 17 1 0 0 0 0
14 26 1 0 0 0 0
15 16 2 0 0 0 0
15 18 1 0 0 0 0
17 27 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
19 20 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
M END
$$$$