B3C1QJ -OEChem-04012120202D 76 77 0 1 0 0 0 0 0999 V2000 4.2746 1.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 5.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 2.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -2.4818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.5037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 4.5037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -2.8137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.9078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8994 1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 3.3470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9174 3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2496 3.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 4.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -2.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -3.0199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -4.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -3.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 0.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 1.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 3.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 2.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 2.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -2.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 3.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1895 2.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5963 2.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -0.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 2.7305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 1.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8024 2.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -3.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 4.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6644 3.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 3.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 4.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 5.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 5.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0886 3.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6919 3.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9099 3.4139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6957 -3.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3777 5.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3816 -3.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7784 -4.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5603 -4.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6742 -3.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4528 -2.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 26 2 0 0 0 0 4 30 2 0 0 0 0 11 5 1 6 0 0 0 5 20 1 0 0 0 0 5 49 1 0 0 0 0 13 6 1 1 0 0 0 6 19 1 0 0 0 0 6 50 1 0 0 0 0 15 7 1 1 0 0 0 7 30 1 0 0 0 0 7 53 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 61 1 0 0 0 0 9 26 1 0 0 0 0 9 69 1 0 0 0 0 9 70 1 0 0 0 0 32 10 1 6 0 0 0 10 75 1 0 0 0 0 10 76 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 0 0 0 0 12 18 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 21 23 1 0 0 0 0 21 28 2 0 0 0 0 22 29 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 27 1 0 0 0 0 23 31 2 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 27 33 2 0 0 0 0 28 60 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 31 65 1 0 0 0 0 32 36 1 0 0 0 0 32 66 1 0 0 0 0 33 35 1 0 0 0 0 33 67 1 0 0 0 0 34 35 2 0 0 0 0 34 68 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 M END $$$$