B9SBH1
-OEChem-04022100482D
50 53 0 1 0 0 0 0 0999 V2000
2.6288 -2.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1128 -0.7724 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.2111 -3.6974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5356 -1.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9788 3.7276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7878 4.3154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1698 4.3154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0301 -1.9748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5301 -1.1088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0082 -1.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 -0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6233 -2.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.6484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2111 -3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 -5.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5202 -4.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9788 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9788 0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -4.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1128 1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8448 1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1128 2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8448 2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9788 2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4788 5.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4788 5.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4109 -2.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3079 -0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0730 -2.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6282 -1.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5092 0.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6976 -0.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4637 -4.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8176 -3.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1463 -3.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2963 -5.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1260 -5.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8302 -5.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0865 -4.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1908 -0.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5894 -0.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2834 -0.4379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1711 -1.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5758 0.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3817 0.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5758 2.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3817 2.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8432 5.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1144 5.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
2 18 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
3 15 1 0 0 0 0
10 4 1 1 0 0 0
4 43 1 0 0 0 0
4 44 1 0 0 0 0
5 20 3 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 25 1 0 0 0 0
7 26 2 0 0 0 0
8 27 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 1 0 0 0
9 28 1 0 0 0 0
10 12 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
14 16 1 0 0 0 0
14 20 1 1 0 0 0
14 34 1 0 0 0 0
15 17 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 17 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 19 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
21 23 1 0 0 0 0
21 45 1 0 0 0 0
22 24 2 0 0 0 0
22 46 1 0 0 0 0
23 25 2 0 0 0 0
23 47 1 0 0 0 0
24 25 1 0 0 0 0
24 48 1 0 0 0 0
26 27 1 0 0 0 0
26 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
$$$$