B6X3RO
-OEChem-04012120362D
52 52 0 1 0 0 0 0 0999 V2000
2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 2.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6541 3.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 2.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4272 0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2741 0.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5010 1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8162 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5762 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15 1 1 6 0 0 0
1 41 1 0 0 0 0
2 16 2 0 0 0 0
3 20 1 0 0 0 0
3 21 1 0 0 0 0
4 20 2 0 0 0 0
14 5 1 6 0 0 0
5 38 1 0 0 0 0
5 39 1 0 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
6 40 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 23 1 0 0 0 0
8 11 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 12 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 14 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 13 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 36 1 0 0 0 0
15 16 1 0 0 0 0
15 37 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 20 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
18 44 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
19 47 1 0 0 0 0
21 22 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
22 50 1 0 0 0 0
22 51 1 0 0 0 0
22 52 1 0 0 0 0
M END
$$$$