B7K2QA
-OEChem-04012120372D
52 54 0 1 0 0 0 0 0999 V2000
2.8660 0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 -0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 2.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 4.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 3.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 4.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -3.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -3.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -4.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -4.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -4.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -4.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -5.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -5.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 2.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 2.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 4.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 5.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 2.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 4.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14 1 1 6 0 0 0
1 43 1 0 0 0 0
2 15 2 0 0 0 0
13 3 1 6 0 0 0
3 41 1 0 0 0 0
3 42 1 0 0 0 0
4 5 1 0 0 0 0
4 15 1 0 0 0 0
4 44 1 0 0 0 0
5 16 1 0 0 0 0
5 45 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 26 1 0 0 0 0
7 10 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 11 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 13 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 12 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 12 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 14 1 0 0 0 0
13 39 1 0 0 0 0
14 15 1 0 0 0 0
14 40 1 0 0 0 0
16 17 1 0 0 0 0
16 19 2 0 0 0 0
17 18 1 0 0 0 0
17 20 2 0 0 0 0
18 21 1 0 0 0 0
18 23 2 0 0 0 0
19 22 1 0 0 0 0
19 46 1 0 0 0 0
20 24 1 0 0 0 0
20 47 1 0 0 0 0
21 22 2 0 0 0 0
21 48 1 0 0 0 0
22 49 1 0 0 0 0
23 25 1 0 0 0 0
23 50 1 0 0 0 0
24 25 2 0 0 0 0
24 51 1 0 0 0 0
25 52 1 0 0 0 0
M END
$$$$