D82DMK -OEChem-06062108573D 42 42 0 1 0 0 0 0 0999 V2000 -5.3839 0.5388 0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 -1.6403 -1.4202 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 -0.0844 -0.2487 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.9616 0.6871 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 -1.3584 -0.8575 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 0.5324 0.6288 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2167 -0.9487 0.1969 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2211 0.1199 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 -0.4563 1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 1.1229 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 -1.1457 0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 1.5208 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7984 -0.6525 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7843 0.8904 -0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 -1.2266 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8012 0.7663 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 2.9832 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 0.7440 1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 -1.5989 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 0.3734 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0226 0.9605 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 -1.4092 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 0.3202 1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8481 1.3710 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1276 1.9761 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 -1.9899 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9452 -1.4246 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 1.3497 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 1.3588 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2907 -0.8706 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0024 -1.4907 0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2649 1.8084 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9877 0.1049 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5606 0.7787 0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -0.0146 1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 1.7217 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 -0.6608 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2379 3.2565 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 3.6287 -0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 3.1976 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -0.7757 -1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 -1.2244 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 15 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 37 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 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 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 M END $$$$