B75UQB
-OEChem-04022107042D
45 49 0 0 0 0 0 0 0999 V2000
11.8551 1.9002 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.5692 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -3.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -0.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -1.9672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1747 -1.1624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3154 1.4028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -2.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -1.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9017 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8533 0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9045 2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5972 3.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 0.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1774 0.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3803 0.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7008 -0.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3022 -0.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3803 -2.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1774 -2.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -0.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3543 0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -1.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1872 3.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4066 3.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0072 2.9719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 1.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 1.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 0.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 23 1 0 0 0 0
2 24 1 0 0 0 0
2 28 1 0 0 0 0
3 14 2 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
6 7 1 0 0 0 0
6 12 2 0 0 0 0
7 13 2 0 0 0 0
8 15 1 0 0 0 0
8 23 2 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
15 19 2 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 21 1 0 0 0 0
17 35 1 0 0 0 0
18 22 2 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
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22 39 1 0 0 0 0
23 25 1 0 0 0 0
24 26 2 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
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26 27 1 0 0 0 0
26 43 1 0 0 0 0
27 28 2 0 0 0 0
27 44 1 0 0 0 0
28 45 1 0 0 0 0
M END
$$$$