B85DGR
-OEChem-04012117102D
47 46 0 1 0 0 0 0 0999 V2000
6.8671 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1350 0.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5991 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5210 2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1225 1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 -1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3871 3.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9885 3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 -0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 -1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6772 3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0757 3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 -2.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 -2.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 20 1 0 0 0 0
2 43 1 0 0 0 0
3 20 2 0 0 0 0
12 4 1 1 0 0 0
4 16 1 0 0 0 0
4 34 1 0 0 0 0
11 5 1 6 0 0 0
5 39 1 0 0 0 0
5 40 1 0 0 0 0
6 18 1 0 0 0 0
6 41 1 0 0 0 0
6 42 1 0 0 0 0
7 19 1 0 0 0 0
7 21 2 0 0 0 0
8 21 1 0 0 0 0
8 44 1 0 0 0 0
8 45 1 0 0 0 0
9 21 1 0 0 0 0
9 46 1 0 0 0 0
9 47 1 0 0 0 0
10 11 1 0 0 0 0
10 13 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
11 16 1 0 0 0 0
11 24 1 0 0 0 0
12 14 1 0 0 0 0
12 20 1 0 0 0 0
12 25 1 0 0 0 0
13 15 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
14 17 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
15 18 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
17 19 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
M END
$$$$