D01SJT
-OEChem-04152109552D
55 58 0 1 0 0 0 0 0999 V2000
4.5981 2.9330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -3.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -2.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
13.1901 -2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6065 -2.8717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9330 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 -1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6065 -1.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1901 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1439 -0.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3554 -0.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 0.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7991 -3.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 -2.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 3.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 3.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 9 1 0 0 0 0
1 31 1 0 0 0 0
2 35 1 0 0 0 0
3 35 1 0 0 0 0
4 35 1 0 0 0 0
5 21 2 0 0 0 0
8 17 1 0 0 0 0
8 21 1 0 0 0 0
8 41 1 0 0 0 0
9 23 1 0 0 0 0
9 30 1 0 0 0 0
10 22 1 0 0 0 0
10 26 1 0 0 0 0
10 44 1 0 0 0 0
11 20 1 0 0 0 0
11 28 1 0 0 0 0
11 45 1 0 0 0 0
12 23 1 0 0 0 0
12 33 2 0 0 0 0
13 26 2 0 0 0 0
13 28 1 0 0 0 0
14 28 2 0 0 0 0
14 34 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 21 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 24 1 0 0 0 0
18 20 2 0 0 0 0
18 38 1 0 0 0 0
19 22 1 0 0 0 0
19 23 2 0 0 0 0
19 27 1 0 0 0 0
20 25 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
24 25 2 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
26 29 1 0 0 0 0
27 32 2 0 0 0 0
27 46 1 0 0 0 0
29 34 2 0 0 0 0
29 35 1 0 0 0 0
30 47 1 0 0 0 0
30 48 1 0 0 0 0
30 49 1 0 0 0 0
31 50 1 0 0 0 0
31 51 1 0 0 0 0
31 52 1 0 0 0 0
32 33 1 0 0 0 0
32 53 1 0 0 0 0
33 54 1 0 0 0 0
34 55 1 0 0 0 0
M END
$$$$