D0F3TM
-OEChem-10191521562D
46 49 0 1 0 0 0 0 0999 V2000
8.0622 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8222 1.1030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.1377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8222 3.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8150 3.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2639 2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2639 1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 41 1 0 0 0 0
2 28 1 0 0 0 0
2 46 1 0 0 0 0
3 28 2 0 0 0 0
4 6 1 0 0 0 0
4 13 1 0 0 0 0
4 30 1 0 0 0 0
5 11 1 0 0 0 0
5 27 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 29 1 0 0 0 0
7 9 2 0 0 0 0
7 10 1 0 0 0 0
8 15 2 0 0 0 0
8 16 1 0 0 0 0
9 11 1 0 0 0 0
10 14 2 0 0 0 0
10 31 1 0 0 0 0
11 12 2 0 0 0 0
12 14 1 0 0 0 0
12 17 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 32 1 0 0 0 0
15 20 1 0 0 0 0
15 33 1 0 0 0 0
16 21 2 0 0 0 0
16 34 1 0 0 0 0
17 25 2 0 0 0 0
17 37 1 0 0 0 0
18 23 1 0 0 0 0
18 35 1 0 0 0 0
19 24 2 0 0 0 0
19 36 1 0 0 0 0
20 22 2 0 0 0 0
20 38 1 0 0 0 0
21 22 1 0 0 0 0
21 39 1 0 0 0 0
22 40 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
25 27 1 0 0 0 0
25 44 1 0 0 0 0
26 28 1 0 0 0 0
27 45 1 0 0 0 0
M END
$$$$