BL6J8Z
-OEChem-04012112302D
38 40 0 0 0 0 0 0 0999 V2000
4.0823 -3.1307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.6956 0.2210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0823 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.1307 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.0000 3.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 1.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 3.2172 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.0823 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5855 1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 1.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0014 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7445 0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6836 1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 2.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -1.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -1.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4566 2.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5895 -0.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4623 -4.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7023 -4.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9973 1.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1302 -0.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 15 1 0 0 0 0
1 22 1 0 0 0 0
2 25 1 0 0 0 0
5 8 1 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
7 14 1 0 0 0 0
7 26 1 0 0 0 0
8 14 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 14 2 0 0 0 0
12 27 1 0 0 0 0
13 20 2 0 0 0 0
13 21 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 18 1 0 0 0 0
16 28 1 0 0 0 0
17 19 2 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
20 23 1 0 0 0 0
20 32 1 0 0 0 0
21 24 2 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
23 25 2 0 0 0 0
23 37 1 0 0 0 0
24 25 1 0 0 0 0
24 38 1 0 0 0 0
M CHG 2 5 -1 8 1
M END
$$$$