B9KSA2
-OEChem-04012117212D
48 51 0 0 0 0 0 0 0999 V2000
8.3489 1.7594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.8457 2.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1090 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -2.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1090 1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6090 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6090 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3457 1.1684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0366 2.1195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1090 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9180 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2999 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9750 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2429 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6057 2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8690 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9750 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2429 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1090 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6547 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7579 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3457 1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 -1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2429 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5119 0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7060 0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0943 2.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3147 2.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6774 1.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4587 1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0606 2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5119 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7060 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5112 1.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7812 -0.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5590 -0.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8290 -1.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9329 -2.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7060 -3.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5529 -3.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0648 -1.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -1.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9352 -2.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 15 1 0 0 0 0
2 9 1 0 0 0 0
2 20 1 0 0 0 0
3 19 1 0 0 0 0
3 28 1 0 0 0 0
4 25 1 0 0 0 0
4 29 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
6 7 1 0 0 0 0
6 11 2 0 0 0 0
7 12 2 0 0 0 0
8 20 2 0 0 0 0
8 22 1 0 0 0 0
9 22 2 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 16 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 20 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
17 19 2 0 0 0 0
17 37 1 0 0 0 0
18 19 1 0 0 0 0
18 38 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
23 26 1 0 0 0 0
23 39 1 0 0 0 0
24 27 2 0 0 0 0
24 40 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
26 41 1 0 0 0 0
27 42 1 0 0 0 0
28 43 1 0 0 0 0
28 44 1 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
M END
$$$$