D08EHR
-OEChem-10101305022D
54 58 0 1 0 0 0 0 0999 V2000
9.1857 2.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 -2.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4586 -1.3745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9288 0.8575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9288 -0.1425 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.0628 -0.6425 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.1968 -0.1425 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.0628 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8750 1.1623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8750 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1968 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0789 -1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4586 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9288 1.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2868 -0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2787 -1.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4586 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3599 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3433 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9586 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4586 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9586 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9586 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9586 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9944 -0.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6021 -0.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7337 0.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4613 1.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6643 1.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4875 1.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6240 -1.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4124 -0.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9847 1.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5862 0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2969 -2.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6880 -1.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5488 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9288 2.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3088 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7835 -2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5818 -2.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7924 2.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7687 0.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3719 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3457 -2.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8787 -0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8386 -1.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2687 0.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6486 -2.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2687 -2.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9 1 1 1 0 0 0
1 45 1 0 0 0 0
2 23 1 0 0 0 0
2 52 1 0 0 0 0
3 25 1 0 0 0 0
3 27 2 0 0 0 0
4 5 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 14 1 1 0 0 0
5 6 1 0 0 0 0
5 10 1 0 0 0 0
5 28 1 0 0 0 0
6 7 1 0 0 0 0
6 12 1 0 0 0 0
6 29 1 0 0 0 0
7 11 1 0 0 0 0
7 15 1 0 0 0 0
7 30 1 0 0 0 0
8 11 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 13 1 0 0 0 0
9 33 1 0 0 0 0
10 13 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 16 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 18 2 0 0 0 0
14 40 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
15 17 2 0 0 0 0
15 19 1 0 0 0 0
16 17 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
17 20 1 0 0 0 0
18 22 1 0 0 0 0
18 46 1 0 0 0 0
19 21 2 0 0 0 0
19 47 1 0 0 0 0
20 23 2 0 0 0 0
20 48 1 0 0 0 0
21 23 1 0 0 0 0
21 49 1 0 0 0 0
22 24 1 0 0 0 0
22 25 2 0 0 0 0
24 26 2 0 0 0 0
24 50 1 0 0 0 0
25 51 1 0 0 0 0
26 27 1 0 0 0 0
26 53 1 0 0 0 0
27 54 1 0 0 0 0
M END
$$$$