B7PY8S -OEChem-04012119392D 103107 0 1 0 0 0 0 0999 V2000 7.9888 3.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 -0.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2295 1.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2186 3.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -3.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9331 0.4389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2739 1.9228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5926 3.1972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5206 -1.5654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9809 -2.0627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5189 -2.5654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6705 6.0520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -3.8233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9334 4.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0335 7.7456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3853 7.2132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -7.7462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 2.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 3.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3628 2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7036 4.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0554 3.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7258 4.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6257 1.3904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2962 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9444 2.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2627 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6370 3.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9221 2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3074 4.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 -1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5703 2.9876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8777 2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2408 3.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1629 0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5259 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3631 7.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1407 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5037 2.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -4.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8111 1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -4.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -5.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -6.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -6.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9249 2.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3919 2.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5589 3.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7487 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3178 4.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7263 4.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6746 4.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 3.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0338 1.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6252 0.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 5.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2006 4.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 1.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5393 0.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4645 1.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3381 2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2561 4.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 3.3263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6883 3.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8553 4.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 3.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6192 5.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4521 5.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3798 3.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0228 -1.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2636 1.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8550 1.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -4.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7472 0.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3354 3.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 5.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3272 4.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3312 0.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9194 2.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4173 1.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8429 8.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6397 7.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 7.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9696 6.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -5.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 -4.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -6.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -8.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 28 2 0 0 0 0 3 30 2 0 0 0 0 4 37 2 0 0 0 0 5 44 2 0 0 0 0 25 6 1 1 0 0 0 6 28 1 0 0 0 0 6 70 1 0 0 0 0 7 26 1 0 0 0 0 27 7 1 1 0 0 0 7 71 1 0 0 0 0 8 30 1 0 0 0 0 34 8 1 6 0 0 0 8 77 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 81 1 0 0 0 0 10 32 2 0 0 0 0 10 36 1 0 0 0 0 11 36 2 0 0 0 0 12 33 1 0 0 0 0 12 41 2 0 0 0 0 13 36 1 0 0 0 0 13 44 1 0 0 0 0 13 84 1 0 0 0 0 14 37 1 0 0 0 0 14 87 1 0 0 0 0 14 88 1 0 0 0 0 15 41 1 0 0 0 0 15 92 1 0 0 0 0 15 93 1 0 0 0 0 16 41 1 0 0 0 0 16 94 1 0 0 0 0 16 95 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 99 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 22 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 24 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 24 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 25 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 69 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 72 1 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 31 33 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 34 80 1 0 0 0 0 35 38 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 42 1 0 0 0 0 39 85 1 0 0 0 0 40 43 2 0 0 0 0 40 86 1 0 0 0 0 42 45 2 0 0 0 0 42 89 1 0 0 0 0 43 45 1 0 0 0 0 43 90 1 0 0 0 0 44 46 1 0 0 0 0 45 91 1 0 0 0 0 46 47 2 0 0 0 0 46 96 1 0 0 0 0 47 48 1 0 0 0 0 47 97 1 0 0 0 0 48 49 1 0 0 0 0 48 51 2 0 0 0 0 49 50 1 0 0 0 0 49 52 2 0 0 0 0 50 53 2 0 0 0 0 51 98 1 0 0 0 0 52 54 1 0 0 0 0 52100 1 0 0 0 0 53 55 1 0 0 0 0 53101 1 0 0 0 0 54 55 2 0 0 0 0 54102 1 0 0 0 0 55103 1 0 0 0 0 M END $$$$