D0JB3H -OEChem-04152110492D 84 88 0 1 0 0 0 0 0999 V2000 3.9736 -5.1089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 -4.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9186 1.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1246 3.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -2.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8589 -2.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2936 5.1089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6507 -0.5672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5167 -0.0672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7847 -0.0672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8746 -0.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8666 -1.6157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6667 -1.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7687 -2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4106 1.4674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4106 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 -0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 0.9536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9312 -2.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2935 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7847 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9916 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8588 -1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6507 1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2605 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5408 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2605 2.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 3.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2605 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7572 0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 -3.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9814 -4.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3052 4.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9813 -4.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 0.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 0.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -2.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2759 -1.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3714 -2.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1697 -2.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0060 -1.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8043 -1.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 0.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0512 0.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5339 -2.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 -2.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5258 -0.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9276 0.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8185 -1.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -1.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7684 -0.9348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -2.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2762 -1.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0709 -1.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 -0.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6507 2.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -2.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8466 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0015 2.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2349 1.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8428 2.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 0.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 -1.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 0.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 0.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 0.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2581 0.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8805 1.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2629 2.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2190 0.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0651 0.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 0.9288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9765 -4.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6013 -4.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 -3.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 3 24 2 0 0 0 0 4 33 2 0 0 0 0 5 37 2 0 0 0 0 12 6 1 6 0 0 0 6 37 1 0 0 0 0 6 65 1 0 0 0 0 7 39 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 1 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 26 1 6 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 41 1 6 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 42 1 6 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 27 2 0 0 0 0 16 19 1 0 0 0 0 16 29 1 6 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 1 0 0 0 0 19 28 1 0 0 0 0 19 51 1 1 0 0 0 20 25 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 25 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 28 33 1 0 0 0 0 28 35 1 0 0 0 0 28 36 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 34 2 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 34 1 0 0 0 0 34 39 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 38 1 0 0 0 0 38 40 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 M END $$$$