D0Q5IP
-OEChem-10101305022D
44 47 0 0 0 0 0 0 0999 V2000
5.9674 0.7901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.9761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9244 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6138 0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6353 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9030 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5708 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2136 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5493 0.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1921 2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8600 1.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3385 0.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6344 -0.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2276 0.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7830 2.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0254 2.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2575 2.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6643 1.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1089 -0.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8665 -0.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 1.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 0.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3782 0.0751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7996 2.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 -2.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9634 0.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3847 3.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4666 1.9490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 14 1 0 0 0 0
2 15 1 0 0 0 0
2 37 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 9 1 0 0 0 0
3 23 1 0 0 0 0
4 6 1 0 0 0 0
4 26 1 0 0 0 0
4 27 1 0 0 0 0
5 7 1 0 0 0 0
5 24 1 0 0 0 0
5 25 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 10 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 11 1 0 0 0 0
10 14 2 0 0 0 0
11 15 1 0 0 0 0
11 18 2 0 0 0 0
12 16 1 0 0 0 0
12 34 1 0 0 0 0
13 17 2 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
15 20 2 0 0 0 0
16 19 2 0 0 0 0
16 38 1 0 0 0 0
17 19 1 0 0 0 0
17 39 1 0 0 0 0
18 21 1 0 0 0 0
18 40 1 0 0 0 0
19 41 1 0 0 0 0
20 22 1 0 0 0 0
20 42 1 0 0 0 0
21 22 2 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
M END
$$$$