B1RX8A
-OEChem-04022100162D
47 48 0 1 0 0 0 0 0999 V2000
5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 -2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 -3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 -0.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 -2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 11 1 0 0 0 0
2 6 1 0 0 0 0
2 41 1 0 0 0 0
3 22 2 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 30 1 0 0 0 0
5 15 1 0 0 0 0
5 22 1 0 0 0 0
5 44 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 24 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 18 2 0 0 0 0
11 16 2 0 0 0 0
12 15 1 0 0 0 0
12 19 2 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 17 2 0 0 0 0
16 17 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
18 20 1 0 0 0 0
18 39 1 0 0 0 0
19 21 1 0 0 0 0
19 40 1 0 0 0 0
20 21 2 0 0 0 0
20 42 1 0 0 0 0
21 43 1 0 0 0 0
22 23 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
23 47 1 0 0 0 0
M END
$$$$