BKLJ68 -OEChem-04022104063D 60 63 0 0 0 0 0 0 0999 V2000 -5.1256 -0.9991 0.2734 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9855 -2.7036 0.1332 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1422 4.5064 0.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 -1.3891 -1.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 2.5023 -0.7953 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -1.2602 2.2724 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 4.1038 -2.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 -1.9430 2.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9251 0.9775 -0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9667 -2.5314 0.1466 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4327 3.1958 -1.5016 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1969 -2.9566 0.4536 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 1.5868 1.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7074 -1.9073 -2.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 0.8505 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -2.2467 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1819 -0.0259 1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8867 -2.2819 -1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4864 2.4692 1.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -1.8717 -1.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 2.6022 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 -2.1647 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 1.4294 3.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3035 -1.6160 -3.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4828 -0.1826 2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 -1.9923 -2.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 0.5458 3.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 -1.6588 -3.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 1.8400 -0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3795 -2.4857 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 3.5096 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 -2.1346 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 3.9861 -2.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -3.0205 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 3.5505 -1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 -2.0248 1.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1108 2.0311 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 -0.2904 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 3.0469 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -1.6162 -2.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 1.9946 4.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6926 -1.3539 -4.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2593 -0.8686 3.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5574 -2.0330 -2.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 0.4269 4.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 -1.4357 -4.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 1.8948 -1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 -2.7010 1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 2.3354 -1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -3.5731 0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 3.8713 -3.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 5.0346 -1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 -4.0287 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1955 -2.8296 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 1.6678 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 2.8258 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 1.2009 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3401 0.2550 3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6122 -0.7870 4.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0046 0.4201 2.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 31 2 0 0 0 0 4 32 2 0 0 0 0 5 35 1 0 0 0 0 5 37 1 0 0 0 0 6 36 1 0 0 0 0 6 38 1 0 0 0 0 7 35 2 0 0 0 0 8 36 2 0 0 0 0 9 15 2 0 0 0 0 9 29 1 0 0 0 0 10 16 2 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 33 1 0 0 0 0 11 49 1 0 0 0 0 12 32 1 0 0 0 0 12 34 1 0 0 0 0 12 50 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 25 2 0 0 0 0 18 26 2 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 29 2 0 0 0 0 21 31 1 0 0 0 0 22 30 2 0 0 0 0 22 32 1 0 0 0 0 23 27 2 0 0 0 0 23 41 1 0 0 0 0 24 28 2 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 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 29 47 1 0 0 0 0 30 48 1 0 0 0 0 33 35 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 34 36 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 M END $$$$