BI98CZ
-OEChem-04012114002D
43 45 0 0 0 0 0 0 0999 V2000
8.6956 0.3760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.9757 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.2857 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2676 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.0046 1.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3865 -0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 -2.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0823 -2.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 1.0243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 1.6121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -3.9757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7445 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5855 1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 1.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0014 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -1.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 3.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6466 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 3.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4566 2.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5895 -0.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9973 2.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1302 -0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -0.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -0.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6111 3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4550 -0.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2363 -0.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8382 0.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5454 -4.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6192 -4.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 17 1 0 0 0 0
1 28 1 0 0 0 0
2 7 2 0 0 0 0
2 8 2 0 0 0 0
2 11 1 0 0 0 0
2 24 1 0 0 0 0
3 27 1 0 0 0 0
4 27 1 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 14 1 0 0 0 0
10 16 2 0 0 0 0
11 42 1 0 0 0 0
11 43 1 0 0 0 0
12 13 1 0 0 0 0
12 15 2 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 22 2 0 0 0 0
14 23 1 0 0 0 0
15 16 1 0 0 0 0
15 29 1 0 0 0 0
16 27 1 0 0 0 0
17 20 2 0 0 0 0
17 21 1 0 0 0 0
18 20 1 0 0 0 0
18 30 1 0 0 0 0
19 21 2 0 0 0 0
19 31 1 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
22 25 1 0 0 0 0
22 34 1 0 0 0 0
23 26 2 0 0 0 0
23 35 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 36 1 0 0 0 0
26 37 1 0 0 0 0
27 38 1 0 0 0 0
28 39 1 0 0 0 0
28 40 1 0 0 0 0
28 41 1 0 0 0 0
M END
$$$$