B0JKO7 -OEChem-04012114532D 75 77 0 0 0 0 0 0 0999 V2000 5.5900 2.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6010 -0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2651 -2.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 1.3267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 -1.3306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 -1.8899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7971 -0.7680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1369 -0.7346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8613 -2.7413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3331 -0.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0651 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 -1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4651 -1.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4988 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4988 -1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9292 -1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4049 -0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4049 0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2690 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7331 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0010 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8690 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7292 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9972 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1568 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 2.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -0.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 1.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 1.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 0.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 0.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 0.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -0.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 1.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7968 -1.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5938 -1.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7334 -0.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9364 -0.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4654 -0.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6684 -0.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 3.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 3.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 2.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 -0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -1.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -0.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0647 -1.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8618 -1.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 1.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -1.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5288 -1.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3259 -1.7411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9406 0.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 -1.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4512 -2.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3329 -1.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7995 -0.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 -0.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8714 -0.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2649 -2.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4590 -2.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 26 1 0 0 0 0 2 33 1 0 0 0 0 3 32 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 22 1 0 0 0 0 5 23 2 0 0 0 0 6 23 1 0 0 0 0 6 68 1 0 0 0 0 6 69 1 0 0 0 0 7 29 1 0 0 0 0 7 70 1 0 0 0 0 7 71 1 0 0 0 0 8 32 1 0 0 0 0 8 34 1 0 0 0 0 8 72 1 0 0 0 0 9 36 1 0 0 0 0 9 37 2 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 14 24 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 25 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 23 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 22 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 26 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 29 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 28 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 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 27 31 2 0 0 0 0 27 63 1 0 0 0 0 28 30 2 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 67 1 0 0 0 0 33 35 1 0 0 0 0 33 36 2 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 M END $$$$