B8RA3F
-OEChem-04022110163D
43 44 0 1 0 0 0 0 0999 V2000
0.9680 -0.2763 -1.4726 S 0 0 0 0 0 0 0 0 0 0 0 0
1.5740 0.0829 -2.7412 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0558 -1.3028 -1.4110 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1017 1.9214 -0.7468 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4077 1.1277 -0.6934 N 0 0 1 0 0 0 0 0 0 0 0 0
-2.6658 0.5054 1.0129 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3637 0.9654 0.5700 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1616 2.0389 1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7588 3.0857 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 2.2429 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7887 1.1893 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2701 -0.7531 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1020 0.5726 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6438 -0.5039 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0032 -1.6068 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5638 -0.2729 -0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3517 -1.9197 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0300 -1.9803 1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5906 -0.6463 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3236 -1.5000 1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9550 -2.9702 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2441 -0.0237 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9537 1.6180 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 2.4605 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0321 3.7268 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4916 3.7244 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4838 2.8148 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3573 1.9101 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2979 -0.0689 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5351 0.4666 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3741 1.5626 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2090 -0.3771 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7273 -0.3683 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0063 -2.0000 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7973 0.3892 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7604 -2.0481 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2703 -2.0862 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8226 -2.6462 2.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.2731 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1232 -1.7911 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5439 -2.8887 -1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7352 -3.9742 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0425 -2.8608 -0.5442 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 12 1 0 0 0 0
4 11 2 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
6 29 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 22 1 0 0 0 0
8 9 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 10 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 14 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 17 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 18 1 0 0 0 0
15 34 1 0 0 0 0
16 19 2 0 0 0 0
16 35 1 0 0 0 0
17 21 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 20 2 0 0 0 0
18 38 1 0 0 0 0
19 20 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
M END
$$$$