B2I1QU -OEChem-04012115422D 31 33 0 0 0 0 0 0 0999 V2000 8.9030 0.9573 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -1.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.4954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.1994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 2.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -0.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 2.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 3.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 2.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8029 2.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 11 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 21 1 0 0 0 0 12 17 2 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M END $$$$