BB2RX3
-OEChem-04022103192D
58 60 0 1 0 0 0 0 0999 V2000
3.4030 -0.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 5.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 3.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4030 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.5600 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.7331 2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8671 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 1.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 3.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 3.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 0.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 0.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 1.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 4.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 3.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 1.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 7 1 0 0 0 0
1 20 1 0 0 0 0
2 21 1 0 0 0 0
3 25 1 0 0 0 0
6 31 2 0 0 0 0
7 11 1 0 0 0 0
7 18 1 0 0 0 0
16 8 1 1 0 0 0
8 45 1 0 0 0 0
8 46 1 0 0 0 0
9 31 1 0 0 0 0
9 57 1 0 0 0 0
9 58 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 16 1 0 0 0 0
10 32 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
11 33 1 0 0 0 0
12 14 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 15 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 17 1 0 0 0 0
16 42 1 0 0 0 0
17 19 1 0 0 0 0
17 43 1 0 0 0 0
17 44 1 0 0 0 0
18 47 1 0 0 0 0
18 48 1 0 0 0 0
18 49 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 26 1 0 0 0 0
22 25 2 0 0 0 0
22 50 1 0 0 0 0
23 27 1 0 0 0 0
23 51 1 0 0 0 0
24 28 2 0 0 0 0
24 52 1 0 0 0 0
25 29 1 0 0 0 0
26 29 2 0 0 0 0
26 53 1 0 0 0 0
27 30 2 0 0 0 0
27 54 1 0 0 0 0
28 30 1 0 0 0 0
28 55 1 0 0 0 0
29 56 1 0 0 0 0
30 31 1 0 0 0 0
M END
$$$$