B9KSA2 -OEChem-04022105573D 48 51 0 0 0 0 0 0 0999 V2000 -2.5106 -2.4634 -1.2967 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.8376 -3.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2159 3.6773 -0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 1.6016 1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -1.2007 1.0744 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 -2.7585 2.2432 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 -3.2786 1.0037 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -1.6955 -1.1669 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 0.0293 -2.6671 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5577 0.0288 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4179 -1.5126 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8929 -2.3255 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 0.9986 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 0.2675 0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 -2.8721 -2.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 -0.5643 3.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 2.2280 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 1.4970 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6707 2.4774 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -1.8248 -2.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 0.0069 -0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 -0.5447 -1.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -0.3619 0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 0.9117 -1.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8939 1.0789 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 0.1740 1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6525 1.4476 -0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 4.6344 -0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1466 1.1810 2.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 0.8199 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5286 -0.4878 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2381 -3.0187 -3.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 -3.8272 -1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7966 -1.0428 4.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6985 0.3084 3.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -0.2247 3.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6505 2.9444 -0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5125 1.6854 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -1.0604 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 1.2151 -2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1736 -0.1542 2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 2.1508 -1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5447 4.9367 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9497 5.5283 -1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 4.2780 -1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 0.1060 2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 1.4851 3.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 1.6942 2.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 25 1 0 0 0 0 4 29 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 8 20 2 0 0 0 0 8 22 1 0 0 0 0 9 22 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 24 27 2 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$