B6J8HV
-OEChem-04022105372D
56 58 0 0 0 0 0 0 0999 V2000
11.1763 0.0781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.2808 -0.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0718 1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1818 -0.0264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5127 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6818 -0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7036 -0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7206 1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0885 -1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9605 -1.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1708 0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7586 -0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5776 1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7531 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5721 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1599 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3270 1.5660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8495 2.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1141 1.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5221 -2.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3407 -2.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6549 -1.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5456 -0.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4998 -1.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3754 -1.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5064 -1.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2131 1.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1176 -1.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8243 1.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8890 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6490 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7765 0.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6910 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3110 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 5 1 0 0 0 0
1 17 1 0 0 0 0
4 15 2 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
6 15 1 0 0 0 0
6 18 1 0 0 0 0
6 40 1 0 0 0 0
7 23 1 0 0 0 0
7 30 2 0 0 0 0
8 30 1 0 0 0 0
8 55 1 0 0 0 0
8 56 1 0 0 0 0
9 11 2 0 0 0 0
9 13 1 0 0 0 0
10 12 2 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
11 15 1 0 0 0 0
12 16 1 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
16 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 20 2 0 0 0 0
17 21 1 0 0 0 0
18 19 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 22 1 0 0 0 0
19 23 2 0 0 0 0
20 24 1 0 0 0 0
20 43 1 0 0 0 0
21 25 2 0 0 0 0
21 44 1 0 0 0 0
22 26 2 0 0 0 0
22 27 1 0 0 0 0
23 29 1 0 0 0 0
24 28 2 0 0 0 0
24 45 1 0 0 0 0
25 28 1 0 0 0 0
25 46 1 0 0 0 0
26 30 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
28 51 1 0 0 0 0
29 52 1 0 0 0 0
29 53 1 0 0 0 0
29 54 1 0 0 0 0
M END
$$$$