B6IGR3
-OEChem-04022102472D
56 58 0 1 0 0 0 0 0999 V2000
5.4641 2.9182 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0818 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.0818 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 3.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 2.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 3.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4182 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -2.0818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4128 4.6206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2437 3.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4347 4.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6915 5.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 0.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 0.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -2.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 3.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 3.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 2.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8451 1.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5805 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0580 2.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1064 5.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2308 5.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2766 4.6211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.7018 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 9 1 0 0 0 0
6 23 1 0 0 0 0
7 11 1 0 0 0 0
7 18 1 0 0 0 0
16 8 1 6 0 0 0
8 43 1 0 0 0 0
8 44 1 0 0 0 0
9 24 2 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 30 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
11 31 1 0 0 0 0
12 14 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 15 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 17 1 0 0 0 0
16 40 1 0 0 0 0
17 19 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
18 45 1 0 0 0 0
18 46 1 0 0 0 0
18 47 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 48 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
26 29 2 0 0 0 0
26 49 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
27 52 1 0 0 0 0
28 53 1 0 0 0 0
28 54 1 0 0 0 0
28 55 1 0 0 0 0
29 56 1 0 0 0 0
M END
$$$$