LHEP28 -OEChem-05022323463D 42 45 0 0 0 0 0 0 0999 V2000 1.2837 3.2064 0.1856 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 2.3329 -0.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 -0.6494 -0.4221 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 0.1235 -0.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 -2.6932 0.4589 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4352 -1.6274 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4234 -3.0799 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9775 -2.0753 -1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 -0.9014 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 0.4299 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 1.1542 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2943 1.1526 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 0.4628 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 0.6972 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3136 2.5377 0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7235 2.5253 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 1.6956 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5221 3.2355 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -0.8512 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -2.2341 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 1.4716 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7099 -3.7942 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 -3.1192 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1473 -1.3096 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1262 -3.7288 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4867 -3.5592 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -1.8798 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0517 -2.0498 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 -1.5212 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8825 1.0293 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -0.6061 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6523 3.0715 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 4.3088 0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9753 -2.1519 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4132 -2.8910 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 -0.1512 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5366 -3.4683 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2287 -4.6608 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 -4.1143 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 -2.2894 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 -3.4688 2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 -3.9319 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 21 2 0 0 0 0 3 14 1 0 0 0 0 3 19 2 0 0 0 0 4 19 1 0 0 0 0 4 21 1 0 0 0 0 4 36 1 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 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 M END $$$$