B2XWK5
-OEChem-04022104552D
39 41 0 0 0 0 0 0 0999 V2000
5.4641 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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12 16 2 0 0 0 0
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13 30 1 0 0 0 0
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15 32 1 0 0 0 0
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18 19 2 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
21 23 2 0 0 0 0
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22 37 1 0 0 0 0
23 38 1 0 0 0 0
M END
$$$$