B9J5HW
-OEChem-04022112543D
41 43 0 0 0 0 0 0 0999 V2000
4.6171 1.6101 0.0006 S 0 0 0 0 0 0 0 0 0 0 0 0
4.9564 2.2574 -1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9280 2.2718 1.2597 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7558 1.7539 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1763 3.3884 -0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 0.3040 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1904 0.6214 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6799 -1.0149 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9130 1.2295 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7625 -2.1337 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 1.3566 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8707 0.7742 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8716 0.7725 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0492 -1.2812 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2319 1.0784 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2328 1.0766 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5103 1.0904 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9644 -0.2286 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3204 -2.6732 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3201 -2.6725 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4242 0.0252 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5641 -3.7519 -1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5644 -3.7510 1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4653 2.1872 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0065 -4.2907 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7855 2.3853 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 0.6583 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 0.6554 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4220 -2.3030 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7429 1.1856 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7451 1.1834 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0210 -0.4809 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6555 -2.2654 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6548 -2.2642 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5031 0.1942 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -0.5225 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1369 -0.5208 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9085 -4.1719 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9092 -4.1705 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6954 -5.1303 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3916 2.5010 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 9 1 0 0 0 0
1 21 1 0 0 0 0
4 24 1 0 0 0 0
4 41 1 0 0 0 0
5 24 2 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
6 11 1 0 0 0 0
7 12 2 0 0 0 0
7 13 1 0 0 0 0
8 10 1 0 0 0 0
8 14 1 0 0 0 0
9 15 2 0 0 0 0
9 16 1 0 0 0 0
10 19 2 0 0 0 0
10 20 1 0 0 0 0
11 17 2 0 0 0 0
11 26 1 0 0 0 0
12 15 1 0 0 0 0
12 27 1 0 0 0 0
13 16 2 0 0 0 0
13 28 1 0 0 0 0
14 18 2 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
17 18 1 0 0 0 0
17 24 1 0 0 0 0
18 32 1 0 0 0 0
19 22 1 0 0 0 0
19 33 1 0 0 0 0
20 23 2 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
22 25 2 0 0 0 0
22 38 1 0 0 0 0
23 25 1 0 0 0 0
23 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$