BL1I0Q
-OEChem-04022104522D
44 47 0 0 0 0 0 0 0999 V2000
4.6660 -2.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.1660 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1660 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -2.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -2.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -3.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8612 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7272 1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1291 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 1.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3252 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1312 1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 4.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1312 3.4930 0.0000 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 6 1 0 0 0 0
1 8 1 0 0 0 0
4 11 1 0 0 0 0
4 39 1 0 0 0 0
5 14 2 0 0 0 0
6 10 1 0 0 0 0
6 29 1 0 0 0 0
7 14 1 0 0 0 0
7 17 1 0 0 0 0
7 34 1 0 0 0 0
8 9 1 0 0 0 0
8 12 2 0 0 0 0
9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 11 2 0 0 0 0
10 14 1 0 0 0 0
12 15 1 0 0 0 0
12 30 1 0 0 0 0
13 16 1 0 0 0 0
13 31 1 0 0 0 0
15 16 2 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
17 20 1 0 0 0 0
18 21 1 0 0 0 0
18 22 2 0 0 0 0
18 23 1 0 0 0 0
19 22 1 0 0 0 0
19 35 1 0 0 0 0
20 23 2 0 0 0 0
20 36 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
22 37 1 0 0 0 0
23 38 1 0 0 0 0
24 26 1 0 0 0 0
24 40 1 0 0 0 0
25 27 2 0 0 0 0
25 41 1 0 0 0 0
26 28 2 0 0 0 0
26 42 1 0 0 0 0
27 28 1 0 0 0 0
27 43 1 0 0 0 0
28 44 1 0 0 0 0
M END
$$$$