D0G2LT
-OEChem-04152108412D
63 67 0 0 0 0 0 0 0999 V2000
15.9851 -3.8358 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.5000 -3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0388 -2.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.0878 -3.8401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5000 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0000 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5000 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0000 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0000 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5000 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0878 -2.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0388 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9851 -2.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5687 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9750 0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9750 0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4174 -0.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1077 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5826 1.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8923 1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0250 0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0250 0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9174 -1.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6077 -1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0826 -1.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3923 -0.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4174 -2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1077 -2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5826 -1.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8923 -1.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6200 3.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 3.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8100 4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1900 4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6900 -4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6900 -1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3100 -4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3100 -1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8962 -1.6324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1777 -1.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1887 -3.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 31 1 0 0 0 0
1 33 1 0 0 0 0
2 17 1 0 0 0 0
2 22 1 0 0 0 0
3 16 1 0 0 0 0
3 23 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
6 30 1 0 0 0 0
6 31 1 0 0 0 0
6 32 1 0 0 0 0
7 29 1 0 0 0 0
7 31 2 0 0 0 0
8 10 1 0 0 0 0
8 34 1 0 0 0 0
8 35 1 0 0 0 0
9 11 1 0 0 0 0
9 36 1 0 0 0 0
9 37 1 0 0 0 0
10 38 1 0 0 0 0
10 39 1 0 0 0 0
11 40 1 0 0 0 0
11 41 1 0 0 0 0
12 13 1 0 0 0 0
12 42 1 0 0 0 0
12 43 1 0 0 0 0
13 15 1 0 0 0 0
13 44 1 0 0 0 0
13 45 1 0 0 0 0
14 16 1 0 0 0 0
14 18 2 0 0 0 0
15 17 1 0 0 0 0
15 46 1 0 0 0 0
15 47 1 0 0 0 0
16 19 2 0 0 0 0
17 48 1 0 0 0 0
17 49 1 0 0 0 0
18 20 1 0 0 0 0
18 50 1 0 0 0 0
19 21 1 0 0 0 0
19 51 1 0 0 0 0
20 21 2 0 0 0 0
20 52 1 0 0 0 0
21 53 1 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
23 54 1 0 0 0 0
23 55 1 0 0 0 0
23 56 1 0 0 0 0
24 27 1 0 0 0 0
24 57 1 0 0 0 0
25 28 2 0 0 0 0
25 58 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
27 59 1 0 0 0 0
28 60 1 0 0 0 0
29 30 2 0 0 0 0
30 61 1 0 0 0 0
32 33 2 0 0 0 0
32 62 1 0 0 0 0
33 63 1 0 0 0 0
M END
$$$$