L57EVO -OEChem-05032301173D 62 66 0 1 0 0 0 0 0999 V2000 -2.7102 -3.4941 -0.1154 P 0 0 1 0 0 0 0 0 0 0 0 0 -4.5736 -1.3020 0.5070 P 0 0 2 0 0 0 0 0 0 0 0 0 -6.0461 0.1986 -1.5628 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 -0.9110 -0.9602 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 0.8388 0.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -0.9862 0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -3.4599 -0.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1753 1.1651 -3.1604 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4883 -1.0463 2.7977 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1913 2.8204 -1.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -2.7622 1.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1293 -2.0087 0.3619 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1728 -3.5291 -1.6652 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2842 -4.5956 0.7276 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3108 -0.6074 0.4108 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2003 0.8625 -1.2417 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8616 -0.7318 -0.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2676 0.0305 1.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6599 -2.1756 1.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4719 0.6588 -3.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2076 -0.8593 -1.9414 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4682 1.3179 -0.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 1.1986 1.6142 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4663 1.6692 -2.0684 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7146 -1.5829 1.7055 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9706 2.6447 2.7672 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7745 1.3937 -0.5683 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7043 0.1163 -0.3885 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6161 2.9945 -0.5269 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 4.1807 1.4548 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.5488 -0.7503 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2018 0.6337 0.1811 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4507 -1.6440 -0.0230 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3003 0.2250 1.3377 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3750 0.0032 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 -2.4637 -0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1817 0.8522 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 -0.7731 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6396 1.6993 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 1.7960 2.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 0.9284 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6404 -0.7761 0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2798 0.0873 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 2.5943 1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4219 3.2546 0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 2.0935 -1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -0.3022 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.5496 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 -2.3201 0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8615 0.0374 2.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -2.9639 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 -1.8226 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 1.5764 3.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0082 1.5663 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -1.3651 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 1.9112 -2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1199 -3.6761 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1003 4.3763 2.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9783 4.6473 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0187 0.5911 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9748 1.3189 -3.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0755 -0.5217 -2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 2 19 2 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 2 0 0 0 0 4 31 1 0 0 0 0 4 35 1 0 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 36 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 10 24 2 0 0 0 0 11 25 2 0 0 0 0 13 57 1 0 0 0 0 15 28 1 0 0 0 0 16 28 1 0 0 0 0 18 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 23 34 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 40 2 0 0 0 0 26 44 1 0 0 0 0 27 39 2 0 0 0 0 27 46 1 0 0 0 0 28 43 2 0 0 0 0 29 45 1 0 0 0 0 29 46 2 0 0 0 0 30 45 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 47 1 0 0 0 0 32 34 1 0 0 0 0 32 48 1 0 0 0 0 33 36 1 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 51 1 0 0 0 0 36 52 1 0 0 0 0 37 41 2 0 0 0 0 38 42 2 0 0 0 0 39 44 1 0 0 0 0 40 53 1 0 0 0 0 41 43 1 0 0 0 0 41 54 1 0 0 0 0 42 43 1 0 0 0 0 42 55 1 0 0 0 0 44 45 2 0 0 0 0 46 56 1 0 0 0 0 M CHG 7 8 -1 9 -1 15 -1 16 -1 24 1 25 1 28 1 M END $$$$