L7PJZ8 -OEChem-05032300122D 53 57 0 0 0 0 0 0 0999 V2000 3.9081 0.4821 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 1.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -0.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9026 0.5866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4026 1.4527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4937 0.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4937 -1.5545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 0.2502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3513 -1.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9494 0.2502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8154 -1.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 -0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4853 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 1.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8043 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3513 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5474 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0773 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5474 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7828 1.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1365 1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8154 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0773 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0105 0.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 0.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -0.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3763 -0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 -0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8415 1.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9969 1.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9107 0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3895 1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6550 1.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5979 2.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7224 2.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 1.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0773 -1.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6973 -0.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0773 -0.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 -2.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9494 0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6203 -1.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -2.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 21 2 0 0 0 0 7 22 1 0 0 0 0 8 19 1 0 0 0 0 8 29 2 0 0 0 0 9 19 2 0 0 0 0 9 31 1 0 0 0 0 10 26 1 0 0 0 0 10 29 1 0 0 0 0 10 51 1 0 0 0 0 11 26 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 39 1 0 0 0 0 20 22 1 0 0 0 0 20 25 2 0 0 0 0 21 27 1 0 0 0 0 22 28 2 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$