B4WDS3 -OEChem-04022104483D 40 42 0 1 0 0 0 0 0999 V2000 2.6471 1.7979 1.2257 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2547 -0.0393 -0.1771 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 0.7838 0.6228 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6472 -0.0326 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 0.7065 2.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 1.3429 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 1.3007 0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 1.8088 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 1.9041 -1.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 2.3586 -1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 2.4067 -1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3593 -0.5459 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 0.8179 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -0.5697 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2629 -1.3888 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -1.5352 0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7135 -0.8915 -1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8463 -2.8224 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 -2.1788 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2978 -3.1443 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 -2.0793 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9013 1.6284 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4046 -1.0414 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 -0.1510 2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4834 1.4984 2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 0.0062 2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6325 0.5204 -0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 1.9627 -2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 2.7773 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 2.8489 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9309 0.2876 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9926 -1.1533 1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 0.7532 0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9857 1.3427 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -1.2984 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6614 -0.1536 -2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 -3.5743 1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8054 -2.4298 -2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9225 -4.1466 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6641 -2.6916 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 21 3 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$