B6IK9E -OEChem-04042104243D 55 58 0 0 0 0 0 0 0999 V2000 -6.6720 -0.2906 1.2484 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 1.0302 1.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 2.1457 -2.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7232 -1.7442 1.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8035 0.4526 2.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6396 -2.8895 -0.0612 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7817 -2.0194 -1.7217 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 1.2536 -0.6617 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3057 0.0231 0.5113 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9992 -1.9052 -0.7491 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0130 -0.3785 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 -0.6994 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 0.4790 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 0.5267 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 1.6773 -1.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 0.2948 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 0.6055 1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 -0.8469 -0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 0.0562 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 -0.7782 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 1.5368 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9146 0.2791 1.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3561 -1.4078 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 1.0793 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 -0.3520 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6714 -1.1890 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3152 -0.1811 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4789 1.9060 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5024 -0.6150 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 0.2117 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6662 1.4722 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9407 0.2671 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 -1.3448 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 -1.1703 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1446 -1.4321 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7867 0.8401 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -0.1478 -2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 0.2004 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 1.2315 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3773 2.3946 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 2.2008 -2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 0.2842 2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2992 1.6960 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6025 -0.4621 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4992 -1.8674 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1305 0.9248 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 -2.0542 -1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9791 -0.1948 0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4904 -1.6706 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -0.8225 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 2.8905 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1762 2.1395 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9080 -0.0100 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8761 1.3526 0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8099 -0.2160 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 30 1 0 0 0 0 1 32 1 0 0 0 0 2 16 2 0 0 0 0 3 21 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 21 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 46 1 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 31 2 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$