LHKB31 -OEChem-05022322312D 54 56 0 1 0 0 0 0 0999 V2000 8.8656 -2.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7553 -0.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -2.5520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 -1.4588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7317 3.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 3.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1336 -2.9588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0291 -3.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 -4.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5509 -3.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 -2.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -1.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8656 -0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8656 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7317 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7317 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8656 2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8656 3.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1012 -2.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0939 -4.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 -3.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4845 -4.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2425 -4.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1361 -2.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0493 -3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4415 -1.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9748 -1.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4627 -1.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 -0.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 0.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0777 -1.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4762 -0.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 -1.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 1.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 0.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4627 0.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 -0.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 1.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4627 1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7317 4.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 3.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 4.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 38 1 0 0 0 0 5 28 1 0 0 0 0 5 52 1 0 0 0 0 5 53 1 0 0 0 0 6 28 2 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 6 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 21 25 2 0 0 0 0 21 46 1 0 0 0 0 22 27 2 0 0 0 0 22 47 1 0 0 0 0 23 27 1 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$