L3IK7Y
-OEChem-05022323103D
45 47 0 1 0 0 0 0 0999 V2000
0.3088 -3.3185 0.8735 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6302 2.1574 1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0991 3.0387 -0.8129 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6828 -1.5466 -0.2463 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9141 -2.1830 0.1367 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9601 -1.3425 0.0615 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 -2.0630 -0.2156 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0518 -0.9467 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 -1.5541 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2658 -2.9943 -1.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4376 -2.2046 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3841 -0.1379 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9814 -0.2087 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1678 -0.0389 -1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8753 -0.8255 0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1809 1.0553 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1072 0.9899 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8148 0.2033 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9308 1.1111 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1514 -3.6079 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7410 2.2193 0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3941 1.0507 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5143 3.3789 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1674 2.2101 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9111 2.1833 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7274 3.3743 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1208 -2.6762 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5260 -0.6666 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5731 -3.8430 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2863 -3.3926 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1088 -2.4857 -2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2642 0.5995 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5328 -0.1140 -2.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7966 -1.5247 1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1815 1.6874 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4355 0.2607 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4859 -4.0728 -0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1899 -3.8002 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9641 -3.9948 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8056 2.2523 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7597 0.1617 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1732 4.2848 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1113 2.2074 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3296 4.2770 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2883 2.8841 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 25 1 0 0 0 0
2 45 1 0 0 0 0
3 25 2 0 0 0 0
4 7 1 0 0 0 0
4 11 1 0 0 0 0
4 28 1 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
5 20 1 0 0 0 0
6 12 2 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 27 1 0 0 0 0
8 14 2 0 0 0 0
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9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
12 13 1 0 0 0 0
12 16 1 0 0 0 0
13 32 1 0 0 0 0
14 17 1 0 0 0 0
14 33 1 0 0 0 0
15 18 2 0 0 0 0
15 34 1 0 0 0 0
16 21 2 0 0 0 0
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17 19 2 0 0 0 0
17 35 1 0 0 0 0
18 19 1 0 0 0 0
18 36 1 0 0 0 0
19 25 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 23 1 0 0 0 0
21 40 1 0 0 0 0
22 24 2 0 0 0 0
22 41 1 0 0 0 0
23 26 2 0 0 0 0
23 42 1 0 0 0 0
24 26 1 0 0 0 0
24 43 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$