BUW29O
-OEChem-04012112382D
42 46 0 1 0 0 0 0 0999 V2000
6.3002 -1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0819 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0819 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4519 -2.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5518 1.8725 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.4178 1.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4178 0.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3117 -0.1622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3117 1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2178 0.3517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2178 1.3933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5518 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9169 2.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6857 1.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9105 2.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6857 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5678 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7757 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6698 -1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7677 -1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9498 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4220 -2.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1539 0.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4112 -0.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8456 -0.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7553 0.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7553 1.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9863 3.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3153 2.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 1.9551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0752 1.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2439 3.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1083 -1.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2424 0.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8335 -1.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6200 1.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2578 -0.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4880 0.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6419 0.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8324 -3.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 -3.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9 1 1 1 0 0 0
1 36 1 0 0 0 0
11 2 1 6 0 0 0
2 22 1 0 0 0 0
12 3 1 1 0 0 0
3 37 1 0 0 0 0
4 20 1 0 0 0 0
4 23 1 0 0 0 0
5 21 1 0 0 0 0
5 23 1 0 0 0 0
6 7 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 24 1 1 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
8 25 1 6 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
10 16 2 0 0 0 0
11 12 1 0 0 0 0
11 27 1 0 0 0 0
12 28 1 0 0 0 0
13 17 1 0 0 0 0
13 18 2 0 0 0 0
14 16 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 17 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
17 19 2 0 0 0 0
18 20 1 0 0 0 0
18 34 1 0 0 0 0
19 21 1 0 0 0 0
19 35 1 0 0 0 0
20 21 2 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$