BC4HS1 -OEChem-04022102083D 81 82 0 0 0 0 0 0 0999 V2000 -3.4943 1.7660 -0.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2169 -1.8307 -2.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6076 0.8044 -1.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 -3.0372 1.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -3.6557 -0.4876 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7645 0.2174 -0.5209 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -3.3102 -0.6823 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 2.4890 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 1.0920 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 3.3133 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 3.2884 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6022 2.3002 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 0.5182 1.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 -0.9056 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3069 3.5491 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 4.6785 1.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 2.8565 -0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 0.4438 -1.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1345 1.5686 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 -0.7456 1.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 2.6810 -0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 1.3931 1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 1.9492 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6595 -2.0265 -1.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -0.6422 -2.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 3.2826 -2.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9694 -1.1645 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0484 0.5736 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -3.5708 0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2332 0.1275 -0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3901 -4.4684 -1.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 -2.3732 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5213 -0.9902 1.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1409 -1.4148 -1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 -3.4309 0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -2.8821 1.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -2.4439 3.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 2.8894 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 4.3078 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 2.7111 2.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 3.3849 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7976 0.9513 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6663 4.1039 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 2.6098 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5548 4.1458 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 4.6445 1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8701 5.1173 2.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 5.3581 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4965 3.4456 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8189 0.4635 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5453 1.3798 -1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 1.1245 2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6328 -1.4433 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0456 0.8400 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -1.5986 -2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 -0.3422 -2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3805 -0.8017 -1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5477 2.5023 -2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8269 4.0088 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 3.8058 -2.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3868 0.7633 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 -0.2491 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -4.5958 0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 -2.9160 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0419 -5.1876 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 -4.1892 -2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 -4.9284 -1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -2.3050 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 -3.3083 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5418 -2.4484 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 -0.9370 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1125 -0.0712 1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1656 -1.8317 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 -1.5338 -2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8503 -0.5791 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6934 -2.3219 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 -2.1249 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3771 -3.8367 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0249 -3.1830 3.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 -1.4995 3.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 -2.3118 3.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 28 1 0 0 0 0 2 24 2 0 0 0 0 3 30 2 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 35 2 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 24 1 0 0 0 0 7 29 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 15 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 42 1 0 0 0 0 14 20 2 0 0 0 0 14 24 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 21 1 0 0 0 0 17 49 1 0 0 0 0 18 25 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 22 2 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 28 30 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 35 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 36 37 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 M END $$$$