B3RLF8
-OEChem-04012114033D
42 43 0 1 0 0 0 0 0999 V2000
1.9875 -1.4331 1.6385 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5416 0.2732 0.1623 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6537 -2.5539 -1.1510 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3618 -1.1548 -0.5103 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0701 1.1436 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6472 0.8183 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 2.5167 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9747 2.1865 -1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5110 3.1395 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0309 -0.9820 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5033 -1.8164 -0.6488 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4172 -2.7735 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7670 -2.0386 0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4701 -0.3628 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0938 -0.3785 1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0015 0.4780 -1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2097 0.4182 1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1172 1.2747 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7212 1.2449 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1505 1.2351 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9251 0.6941 2.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2559 0.1686 -1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7197 0.9230 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8667 3.1782 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 2.4163 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8921 2.0680 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1353 2.6168 -2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9535 4.0822 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5597 3.3780 -0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0783 -1.2105 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0626 -3.3787 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 -3.4803 0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4631 -1.4835 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5001 -2.7913 0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -3.1388 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9954 -3.1987 -0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0318 -1.1803 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7299 -1.0074 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5423 0.5141 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6806 0.3952 2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5156 1.9187 -1.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5899 1.8653 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 10 1 0 0 0 0
3 11 1 0 0 0 0
3 35 1 0 0 0 0
3 36 1 0 0 0 0
4 13 1 0 0 0 0
4 14 1 0 0 0 0
4 37 1 0 0 0 0
5 7 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 8 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 9 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 9 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
15 38 1 0 0 0 0
16 18 2 0 0 0 0
16 39 1 0 0 0 0
17 19 2 0 0 0 0
17 40 1 0 0 0 0
18 19 1 0 0 0 0
18 41 1 0 0 0 0
19 42 1 0 0 0 0
M END
$$$$