B0SZV2 -OEChem-04012116452D 86 93 0 1 0 0 0 0 0999 V2000 5.1313 0.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 -4.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2603 -1.8322 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5338 -2.7052 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2710 0.7049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7316 1.8016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8634 -1.6651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9974 -1.1651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7294 -1.1651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6542 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9974 -0.1651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3702 -2.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -2.7400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7709 -1.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7294 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8634 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1766 -1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2503 -1.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4391 0.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3036 -3.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 -2.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -1.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2294 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3132 -4.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 -2.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0298 -1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 -3.8557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7121 1.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2297 1.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1942 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2020 2.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8892 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1822 1.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7814 1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 2.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5243 3.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 2.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6372 4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 3.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7922 4.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 4.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2612 -0.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 -0.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6533 -3.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2706 -2.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7782 -2.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -3.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1925 -3.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3582 -0.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8634 0.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 -2.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 -1.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6269 -0.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8704 -0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 1.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9154 0.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 -4.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4883 -2.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -1.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 0.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1552 -1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6272 -1.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3666 1.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4846 0.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3389 -4.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3425 -2.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3594 -3.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 -1.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4594 -1.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 -3.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5784 2.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7291 -0.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5759 -0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 0.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3598 0.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2757 1.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5055 1.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4013 1.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 3.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2036 4.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 5.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3384 4.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 62 1 0 0 0 0 28 2 1 6 0 0 0 2 80 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 4 21 1 0 0 0 0 5 23 2 0 0 0 0 5 35 1 0 0 0 0 6 29 1 0 0 0 0 6 38 1 0 0 0 0 6 78 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 1 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 43 1 6 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 44 1 1 0 0 0 10 13 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 20 1 0 0 0 0 13 49 1 1 0 0 0 14 17 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 22 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 24 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 25 2 0 0 0 0 20 59 1 0 0 0 0 21 27 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 26 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 28 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 31 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 29 32 2 0 0 0 0 30 34 2 0 0 0 0 30 73 1 0 0 0 0 31 33 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 79 1 0 0 0 0 35 36 2 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 40 2 0 0 0 0 39 41 1 0 0 0 0 39 83 1 0 0 0 0 40 42 1 0 0 0 0 40 84 1 0 0 0 0 41 42 2 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 M END $$$$