B8PD7R
-OEChem-04012113342D
33 35 0 0 0 0 0 0 0999 V2000
2.0000 0.4043 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -2.1144 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.1569 3.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 1.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6569 -2.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6569 -2.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1569 3.4244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -3.1144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4659 2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5229 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7908 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5229 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7908 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 2.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4170 2.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 2.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0598 0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2539 0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0598 -0.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2539 -0.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2254 1.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0066 1.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6085 2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 3.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 2.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1938 -3.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1199 -3.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 8 1 0 0 0 0
2 13 1 0 0 0 0
3 7 1 0 0 0 0
3 12 1 0 0 0 0
4 18 1 0 0 0 0
4 22 1 0 0 0 0
7 11 2 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 2 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 18 1 0 0 0 0
12 19 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 16 1 0 0 0 0
14 23 1 0 0 0 0
15 17 2 0 0 0 0
15 24 1 0 0 0 0
16 25 1 0 0 0 0
17 26 1 0 0 0 0
18 20 2 0 0 0 0
19 27 1 0 0 0 0
19 28 1 0 0 0 0
19 29 1 0 0 0 0
20 21 1 0 0 0 0
20 30 1 0 0 0 0
21 22 2 0 0 0 0
21 31 1 0 0 0 0
M END
$$$$