BJ3VO6
-OEChem-04012114043D
36 38 0 1 0 0 0 0 0999 V2000
3.6822 -1.6192 0.3332 S 0 0 1 0 0 0 0 0 0 0 0 0
-4.6591 0.1749 -0.0974 S 0 0 0 0 0 0 0 0 0 0 0 0
2.9041 -2.9894 -0.0235 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5357 -1.2408 -0.8402 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1966 -0.2542 -1.3769 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3173 -0.1712 1.1515 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1126 -1.4648 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1838 -0.6597 0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -1.0649 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4856 -2.9100 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2378 0.8016 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9813 -0.3024 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9222 -0.8970 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0190 -0.8516 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 -0.5156 -1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3594 -0.4703 1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1802 1.5756 1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3474 1.4385 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6222 2.0278 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2312 2.9674 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3986 2.8304 -1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3405 3.5948 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2210 -3.3983 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0102 -3.4470 -0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3743 -1.0576 -2.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5472 -0.9769 2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7240 -0.3838 -2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8983 -0.3034 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 1.1025 2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3928 0.8577 -2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0645 2.3368 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6571 2.3709 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1440 2.3715 0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1857 3.5627 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4833 3.3191 -2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3801 4.6785 -0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 4 2 0 0 0 0
1 8 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 12 1 0 0 0 0
2 19 1 0 0 0 0
3 10 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
8 11 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 17 2 0 0 0 0
11 18 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 15 1 0 0 0 0
13 25 1 0 0 0 0
14 16 2 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
17 20 1 0 0 0 0
17 29 1 0 0 0 0
18 21 2 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 22 2 0 0 0 0
20 34 1 0 0 0 0
21 22 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
M END
$$$$