B3A9QS
-OEChem-04012113513D
43 44 0 1 0 0 0 0 0999 V2000
2.5433 -1.4786 1.5129 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4961 1.5368 -2.3756 O 0 5 0 0 0 0 0 0 0 0 0 0
-1.1391 -0.1849 -2.2595 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5803 0.4811 0.2656 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0853 -2.0675 -1.4605 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0232 -1.6305 -0.2677 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4445 -1.0918 1.5483 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0189 0.5550 -1.7581 N 0 3 0 0 0 0 0 0 0 0 0 0
2.4194 1.2065 -1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0486 1.2998 1.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4886 2.4043 -0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1295 2.4978 1.6081 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9501 3.3027 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 -0.8846 0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8800 -1.6569 -0.7546 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0640 -2.8735 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1590 -2.4887 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9944 -0.8127 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4903 0.2719 -0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4653 1.0842 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3925 -0.2801 2.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9305 0.8097 1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4194 1.5579 -1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0724 0.5947 -1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1094 0.7067 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0643 1.6346 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4442 2.9823 -1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4733 2.0476 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1484 2.1450 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 3.1401 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9002 3.7805 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2206 4.1041 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2518 -1.0580 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6758 -3.5705 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 -3.4258 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7065 -3.3984 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1344 -2.0029 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6262 -2.7129 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8284 -2.5936 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1047 -1.8302 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8863 1.9386 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7212 -0.5368 3.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6899 1.4289 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 8 1 0 0 0 0
3 8 2 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
4 14 1 0 0 0 0
5 15 1 0 0 0 0
5 38 1 0 0 0 0
5 39 1 0 0 0 0
6 17 1 0 0 0 0
6 18 1 0 0 0 0
6 40 1 0 0 0 0
7 18 1 0 0 0 0
7 21 2 0 0 0 0
8 19 1 0 0 0 0
9 11 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 12 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 13 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 13 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 33 1 0 0 0 0
16 17 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 22 2 0 0 0 0
20 41 1 0 0 0 0
21 22 1 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
M CHG 2 2 -1 8 1
M END
$$$$