LI9Q8A
-OEChem-05022321222D
48 50 0 1 0 0 0 0 0999 V2000
3.0000 -4.7966 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.2634 3.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -4.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8621 4.1874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6865 2.5694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 -0.2088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 -0.2088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3621 5.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 4.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6930 5.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7794 5.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6810 2.4648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2688 3.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0878 1.5513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0823 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -3.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -3.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -5.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8637 4.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7770 5.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2640 4.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8191 3.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1946 6.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3830 6.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 5.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1730 5.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3166 1.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3400 0.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0175 0.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6989 1.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1471 2.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4343 3.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3221 2.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -1.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -1.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -3.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -3.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 -5.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -6.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -5.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 21 1 0 0 0 0
1 26 1 0 0 0 0
2 15 2 0 0 0 0
3 9 1 0 0 0 0
3 18 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 15 1 0 0 0 0
14 7 1 6 0 0 0
7 40 1 0 0 0 0
7 41 1 0 0 0 0
8 18 2 0 0 0 0
8 19 1 0 0 0 0
9 19 2 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 29 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 1 0 0 0 0
14 16 1 0 0 0 0
14 35 1 0 0 0 0
16 17 1 6 0 0 0
16 18 1 0 0 0 0
16 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
19 20 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
22 24 1 0 0 0 0
22 42 1 0 0 0 0
23 25 2 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
M END
$$$$