B3X1LZ -OEChem-04022115343D 28 29 0 0 0 0 0 0 0999 V2000 1.8755 1.8969 -0.5171 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 2.2616 -0.2815 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9955 1.2174 0.1667 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2829 -0.9083 -0.7418 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8513 -2.1660 -0.1922 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5412 -0.1828 0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 0.2618 0.2303 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -0.2243 0.8989 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 0.2873 0.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -0.2718 -0.6596 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6169 -0.9453 0.0426 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5026 -0.8734 0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -0.8335 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5189 0.5190 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3382 1.3919 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3637 0.9511 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 -0.4356 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6804 -0.8806 -0.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1778 -1.0655 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0938 -1.7956 0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2883 -0.8659 1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 -1.6837 1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4239 0.0949 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 0.8985 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8344 -0.9414 -2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1737 -1.7360 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1181 0.0545 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -2.1111 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 17 19 2 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$