LDF9V6 -OEChem-05022322193D 39 39 0 1 0 0 0 0 0999 V2000 -4.0886 0.0907 0.5008 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3986 2.2030 -0.1645 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2486 -1.2884 -1.1542 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 -0.7503 0.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 2.0219 0.6863 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 3.0815 -1.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 0.4563 0.2755 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7392 -2.5342 0.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3749 -0.3510 -0.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8864 1.2386 0.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 -1.2026 -0.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2323 -0.1057 2.1981 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 -0.1441 -0.3043 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7284 0.2519 -0.0764 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5258 1.0055 -0.9396 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8143 1.5982 0.6401 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9505 2.6586 -0.0446 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0163 0.6904 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2859 -2.4210 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 -0.9458 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -3.5352 -1.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1816 -2.0184 1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1538 -0.3594 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 0.2992 -1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 1.1951 -1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 1.4621 1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 3.5475 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 -0.1883 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 1.5457 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1964 2.8768 1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 3.9946 -1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 -4.4384 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -3.7420 -1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8279 -3.2654 -2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -1.7120 2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 -2.1754 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 -2.9546 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7555 -0.9185 2.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1254 0.7419 2.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 7 18 1 0 0 0 0 8 19 2 0 0 0 0 9 20 2 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 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$