D04JJM -OEChem-09301911202D 58 65 0 1 0 0 0 0 0999 V2000 7.5253 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3271 -1.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9273 -0.6474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2433 1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0179 -0.0555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 -1.1645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 0.3687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2619 1.3346 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2748 -0.4260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0519 0.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6936 1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9425 -0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9003 -1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 1.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 -0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9733 -1.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6436 1.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4406 -1.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 -0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7162 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 2.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 -3.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 2.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5644 -3.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5988 -3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0454 3.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5054 0.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 0.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8412 -0.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4668 0.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3014 1.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6745 1.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1783 -0.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 -2.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8703 -2.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2919 -2.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 3.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 -3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 2.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1634 0.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1634 1.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2866 1.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0486 -3.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 4.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9366 -2.4310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7705 -2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 -1.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5009 -4.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 3.7463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 10 2 1 1 0 0 0 2 32 1 0 0 0 0 3 24 2 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 11 6 1 1 0 0 0 6 29 1 0 0 0 0 6 41 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 47 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 17 25 2 0 0 0 0 18 22 1 0 0 0 0 18 26 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 27 2 0 0 0 0 22 28 2 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 31 1 0 0 0 0 26 45 1 0 0 0 0 27 33 1 0 0 0 0 27 46 1 0 0 0 0 28 34 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 33 2 0 0 0 0 30 52 1 0 0 0 0 31 34 2 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$