LISM21 -OEChem-05022321252D 48 51 0 0 0 0 0 0 0999 V2000 10.0994 0.6388 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8437 1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3551 -0.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -3.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 -2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7672 -0.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1785 1.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3489 2.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6818 3.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2670 3.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3058 -0.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1813 -0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2287 0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 -3.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0382 -2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5594 -1.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 30 1 0 0 0 0 12 19 2 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$