D0H2IO
-OEChem-10101305032D
43 42 0 1 0 0 0 0 0999 V2000
2.6903 6.1588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0563 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 9.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 10.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 11.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 8.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1903 4.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4583 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3243 2.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3243 3.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4583 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1903 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9993 5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1903 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3813 5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6903 6.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4583 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 9.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 10.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 10.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 9.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3243 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3243 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2462 2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8477 1.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3093 4.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5657 5.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8803 1.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7272 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5003 2.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8149 5.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0713 4.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2968 6.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6255 6.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9213 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4583 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8383 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4583 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0783 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 9.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 10.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 9.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 16 1 0 0 0 0
2 12 2 0 0 0 0
3 20 1 0 0 0 0
3 42 1 0 0 0 0
4 21 1 0 0 0 0
4 43 1 0 0 0 0
5 20 2 0 0 0 0
6 21 2 0 0 0 0
7 12 1 0 0 0 0
7 13 1 0 0 0 0
7 15 1 0 0 0 0
10 8 1 6 0 0 0
8 35 1 0 0 0 0
8 36 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 14 1 1 0 0 0
9 22 1 0 0 0 0
10 12 1 0 0 0 0
10 23 1 0 0 0 0
11 17 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
13 16 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
18 40 1 0 0 0 0
19 21 1 0 0 0 0
19 41 1 0 0 0 0
M END
$$$$