BS16FD
-OEChem-04022105052D
36 36 0 1 0 0 0 0 0999 V2000
2.0000 1.0818 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.0818 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
3.9595 -4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5818 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.4641 2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.5116 -2.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 -3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7026 -3.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0818 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0781 -2.7558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 -1.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2016 -1.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6823 -3.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5956 -2.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4892 -4.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2472 -3.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -1.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -2.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 3.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 2.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
3 11 2 0 0 0 0
4 20 1 0 0 0 0
5 20 2 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 21 1 0 0 0 0
7 8 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 9 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 12 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 17 1 0 0 0 0
13 30 1 0 0 0 0
14 18 2 0 0 0 0
14 31 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
M CHG 2 2 1 4 -1
M END
$$$$