LEL70K -OEChem-05032300013D 55 58 0 1 0 0 0 0 0999 V2000 4.9187 1.7097 0.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2366 -1.8680 -1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9365 -0.5085 0.5879 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4564 0.7286 0.8155 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1683 -0.0256 -1.1865 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6716 0.5425 2.1095 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1155 1.9177 0.3411 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 0.8593 -2.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.4969 -1.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 1.1143 -2.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 -0.7730 -1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6028 -1.5560 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2028 -1.2821 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5986 -0.4109 -0.1153 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5224 1.1257 -1.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4745 -1.3992 -1.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0029 -0.3966 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7839 -1.6554 -1.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3122 -0.6528 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 2.1818 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0373 -0.9121 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 0.3840 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 3.6157 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9165 -0.3743 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4414 1.7813 2.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1037 2.6165 1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 0.2643 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0595 -1.7455 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 -0.4679 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9723 -2.4777 1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 -1.8389 2.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3956 0.9352 -3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 1.6624 -1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -1.2992 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4694 -0.5835 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 2.0709 -3.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 0.3505 -3.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9326 -2.4854 -0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6167 -1.7937 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4027 -0.0022 -1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1582 -1.6911 -2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 0.0956 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 -2.1435 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6238 -0.3583 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 3.9843 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 3.8230 -1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 4.1823 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5291 2.0033 3.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8562 3.6673 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6045 1.3302 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 -2.2645 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1663 -2.1803 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 0.0289 3.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 -3.5453 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 -2.4091 2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 22 1 0 0 0 0 2 21 1 0 0 0 0 2 52 1 0 0 0 0 3 21 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 22 2 0 0 0 0 6 25 2 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 15 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 21 1 0 0 0 0 14 40 1 0 0 0 0 15 20 2 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$