B8PD7R
-OEChem-04012114003D
33 35 0 0 0 0 0 0 0999 V2000
-1.0898 4.3515 -0.0010 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.4514 0.3231 0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.0389 -2.7366 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5400 1.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0540 -0.0890 1.2601 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0566 -0.0872 -1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5435 -1.4418 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2835 2.0235 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2704 -1.3848 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1051 -0.9740 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4665 -0.6513 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6822 -2.6890 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7784 -0.1764 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7733 -0.7743 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7734 -0.7748 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 -0.3755 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 -0.3760 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5927 0.8180 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9917 -3.9867 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7813 1.5100 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4367 2.8827 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0620 2.9315 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2662 -0.9232 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2663 -0.9242 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6086 -0.2192 2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6090 -0.2203 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3597 -4.0858 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3569 -4.0853 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7016 -4.8200 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7799 1.0952 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1122 3.7265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5298 2.5273 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5300 2.5266 -0.8618 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
$$$$