B9PLA0
-OEChem-04012114112D
59 64 0 0 0 0 0 0 0999 V2000
9.6644 0.8873 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.9245 -0.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1138 -0.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5022 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6491 -1.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1644 -0.6516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1644 -3.6516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4044 -0.3728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6612 0.2963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0305 -2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9244 -1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8305 -2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8305 -3.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9244 -3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0305 -3.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1644 -1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2984 -2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2984 -3.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4045 -1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9734 -0.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3554 -0.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4045 -3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6644 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4984 -2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4984 -3.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9670 0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0160 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2728 1.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7102 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3218 0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8080 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5050 2.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5370 1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8570 -0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7364 2.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7457 2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3180 -1.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5198 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4413 -2.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0395 -1.5471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0395 -3.7561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4413 -3.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5198 -4.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3180 -4.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4116 -0.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4116 -4.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2709 1.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5996 1.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9626 -1.8187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9626 -3.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4556 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6759 1.2039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7901 0.9028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2688 -1.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0969 2.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9496 1.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8676 3.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1266 3.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
1 24 1 0 0 0 0
2 21 2 0 0 0 0
3 31 1 0 0 0 0
3 35 1 0 0 0 0
4 30 2 0 0 0 0
5 37 1 0 0 0 0
5 59 1 0 0 0 0
6 35 2 0 0 0 0
7 17 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 16 2 0 0 0 0
8 19 1 0 0 0 0
9 10 1 0 0 0 0
9 22 2 0 0 0 0
10 30 1 0 0 0 0
10 54 1 0 0 0 0
11 12 1 0 0 0 0
11 16 1 0 0 0 0
11 17 2 0 0 0 0
12 13 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 14 1 0 0 0 0
13 40 1 0 0 0 0
13 41 1 0 0 0 0
14 15 1 0 0 0 0
14 42 1 0 0 0 0
14 43 1 0 0 0 0
15 16 1 0 0 0 0
15 44 1 0 0 0 0
15 45 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
19 23 2 0 0 0 0
20 25 1 0 0 0 0
20 46 1 0 0 0 0
21 24 1 0 0 0 0
23 26 1 0 0 0 0
23 47 1 0 0 0 0
24 48 1 0 0 0 0
24 49 1 0 0 0 0
25 26 2 0 0 0 0
25 50 1 0 0 0 0
26 51 1 0 0 0 0
27 28 1 0 0 0 0
27 30 1 0 0 0 0
27 52 1 0 0 0 0
27 53 1 0 0 0 0
28 29 1 0 0 0 0
28 32 2 0 0 0 0
29 31 2 0 0 0 0
29 33 1 0 0 0 0
31 34 1 0 0 0 0
32 35 1 0 0 0 0
32 55 1 0 0 0 0
33 36 2 0 0 0 0
33 56 1 0 0 0 0
34 37 2 0 0 0 0
34 57 1 0 0 0 0
36 37 1 0 0 0 0
36 58 1 0 0 0 0
M END
$$$$