L1EKO8 -OEChem-05022323342D 51 54 0 0 0 0 0 0 0999 V2000 7.7469 1.2901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 4.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4036 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5823 2.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 5.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 0.3390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 2.0991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 3.0127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.5081 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3958 4.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -4.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 -2.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -2.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 -1.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -1.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 3.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 5.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 5.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 -4.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -4.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 6.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0559 0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 1.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 -5.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -5.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 4.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 3.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1545 3.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -3.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6499 -3.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -1.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6499 -1.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4191 5.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 5.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -4.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6499 -4.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 6.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 6.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6456 0.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -6.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6499 -6.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 2.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -6.8687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6315 5.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 33 2 0 0 0 0 6 20 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 49 1 0 0 0 0 8 21 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 22 2 0 0 0 0 11 21 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 23 2 0 0 0 0 16 18 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 38 1 0 0 0 0 19 39 1 0 0 0 0 20 28 2 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 31 2 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 30 32 2 0 0 0 0 30 47 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 32 50 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$