D0CV8T
-OEChem-09301911112D
41 42 0 0 0 0 0 0 0999 V2000
6.6974 2.3317 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 1.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4654 -2.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1974 -3.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2294 0.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1096 3.1407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1974 0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1974 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6974 2.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0064 1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0634 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4374 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1974 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0634 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 0.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4654 -3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0634 -3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8721 2.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7945 -0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 1.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6004 -0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6004 -2.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 2.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 2.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 0.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4063 -0.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1417 0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3618 3.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4930 3.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8454 -3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4654 -3.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0854 -3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7534 -4.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6004 -4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3734 -3.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 13 1 0 0 0 0
2 10 1 0 0 0 0
2 15 1 0 0 0 0
3 16 1 0 0 0 0
3 21 1 0 0 0 0
4 17 1 0 0 0 0
4 22 1 0 0 0 0
5 15 2 0 0 0 0
6 11 1 0 0 0 0
6 34 1 0 0 0 0
6 35 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 13 2 0 0 0 0
8 12 2 0 0 0 0
8 14 1 0 0 0 0
9 11 2 0 0 0 0
9 15 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
10 23 1 0 0 0 0
12 16 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
14 18 2 0 0 0 0
14 26 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 27 1 0 0 0 0
19 28 1 0 0 0 0
19 29 1 0 0 0 0
19 30 1 0 0 0 0
20 31 1 0 0 0 0
20 32 1 0 0 0 0
20 33 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$