LIJ21E -OEChem-05022321243D 40 42 0 0 0 0 0 0 0999 V2000 4.1141 1.3022 0.6114 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 -3.2630 -0.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 2.4343 1.3312 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 0.2190 1.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8276 0.5725 -0.1796 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7007 0.5049 -1.5158 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0514 3.6848 0.0351 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 3.6817 -0.3862 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2719 -1.1932 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 -0.5099 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9579 -0.4918 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 -1.2452 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2136 -2.5814 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5668 0.8868 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 -0.0146 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -2.6420 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3693 -3.3045 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8822 -0.5622 0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7849 1.5490 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 -0.1510 -1.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 0.8259 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2966 1.9806 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8493 2.9963 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 -4.6793 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 1.4689 -0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 -0.0392 1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 -3.2261 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 -4.3821 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7975 -1.1080 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 -0.3460 -2.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9121 1.2896 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6854 1.1693 -1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7953 2.7323 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1053 2.4388 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 -5.0549 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2857 -5.1468 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -4.9690 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 4.6948 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9361 3.2390 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 4.6762 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 24 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 20 2 0 0 0 0 7 23 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 23 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 14 19 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 21 2 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$