B4QZV6 -OEChem-04012114542D 78 81 0 0 0 0 0 0 0999 V2000 5.5900 2.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2651 -2.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 -1.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3369 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 1.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 -1.3172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 -1.8766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1369 -0.7213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4651 -1.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8613 -2.7279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 1.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 -0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 -1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4988 0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4988 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4049 -0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4049 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2690 -1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0010 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7331 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8690 -0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6010 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9972 -2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7292 -2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3331 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0651 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9292 -1.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9253 -2.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7971 -0.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7894 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6612 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6574 -2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1568 2.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 2.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -0.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 0.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 1.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 1.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 0.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 0.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -0.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 1.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 3.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 3.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 2.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 -0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -1.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -0.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 1.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -1.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9406 0.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 -1.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4512 -2.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 -0.1013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8714 -0.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0014 -0.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2043 -0.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4590 -2.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2649 -2.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4627 -1.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4654 -0.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6684 -0.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3872 -2.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7995 -0.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7870 -3.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1993 -0.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1931 -2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 28 2 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 35 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 20 1 0 0 0 0 6 21 2 0 0 0 0 7 21 1 0 0 0 0 7 63 1 0 0 0 0 7 64 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 65 1 0 0 0 0 9 32 1 0 0 0 0 9 35 1 0 0 0 0 9 71 1 0 0 0 0 10 33 1 0 0 0 0 10 34 2 0 0 0 0 11 15 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 16 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 15 22 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 23 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 27 2 0 0 0 0 24 60 1 0 0 0 0 25 26 2 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 62 1 0 0 0 0 29 31 1 0 0 0 0 29 33 2 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 36 37 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 74 1 0 0 0 0 39 41 2 0 0 0 0 39 75 1 0 0 0 0 40 42 2 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 M END $$$$