85449051 -OEChem-11041418062D 101107 0 1 0 0 0 0 0999 V2000 14.4023 -4.2427 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7334 -2.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8251 -4.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 -5.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6856 3.1663 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2687 -0.6436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3196 -5.4451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 2.2528 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7788 1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 0.6436 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3007 2.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0978 3.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1033 3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 4.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2679 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5155 4.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6965 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2624 2.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0813 4.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 4.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4766 -1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8502 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4881 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4489 0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 5.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4276 -1.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9003 6.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4434 0.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6355 -2.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1708 -1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5866 -3.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 -1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 -2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2808 -2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4887 -3.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8196 -4.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2977 -5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 2.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1937 0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2804 1.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2359 2.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6807 2.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3157 3.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 -0.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2313 -0.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 4.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 4.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4677 3.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7294 -0.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0171 5.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 5.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 4.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1301 3.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 2.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2629 2.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 3.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5146 3.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 4.9286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2445 1.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4668 1.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1047 5.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1967 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5414 6.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8079 0.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1525 6.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1748 -3.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0419 -0.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7155 -3.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5826 -1.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7416 -2.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0674 -6.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 55 1 0 0 0 0 1 57 1 0 0 0 0 2 19 2 0 0 0 0 3 29 2 0 0 0 0 4 41 2 0 0 0 0 5 56 2 0 0 0 0 6 57 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 16 1 0 0 0 0 9 29 1 0 0 0 0 9 70 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 10101 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 58 1 0 0 0 0 12 13 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 13 16 1 0 0 0 0 13 61 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 69 1 0 0 0 0 19 22 1 0 0 0 0 20 26 2 0 0 0 0 20 28 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 22 30 1 0 0 0 0 22 31 2 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 25 32 1 0 0 0 0 25 78 1 0 0 0 0 26 33 1 0 0 0 0 26 77 1 0 0 0 0 27 34 2 0 0 0 0 27 80 1 0 0 0 0 28 35 2 0 0 0 0 28 79 1 0 0 0 0 29 36 1 0 0 0 0 30 39 2 0 0 0 0 30 41 1 0 0 0 0 31 40 1 0 0 0 0 31 81 1 0 0 0 0 32 38 2 0 0 0 0 32 82 1 0 0 0 0 33 37 2 0 0 0 0 33 83 1 0 0 0 0 34 38 1 0 0 0 0 34 84 1 0 0 0 0 35 37 1 0 0 0 0 35 85 1 0 0 0 0 36 43 2 0 0 0 0 36 44 1 0 0 0 0 37 87 1 0 0 0 0 38 86 1 0 0 0 0 39 42 1 0 0 0 0 39 88 1 0 0 0 0 40 42 2 0 0 0 0 40 89 1 0 0 0 0 41 45 1 0 0 0 0 42 90 1 0 0 0 0 43 46 1 0 0 0 0 43 91 1 0 0 0 0 44 47 2 0 0 0 0 44 92 1 0 0 0 0 45 49 2 0 0 0 0 45 50 1 0 0 0 0 46 48 2 0 0 0 0 46 93 1 0 0 0 0 47 48 1 0 0 0 0 47 94 1 0 0 0 0 48 51 1 0 0 0 0 49 52 1 0 0 0 0 49 95 1 0 0 0 0 50 53 2 0 0 0 0 50 96 1 0 0 0 0 51 55 2 3 0 0 0 51 97 1 0 0 0 0 52 54 2 0 0 0 0 52 98 1 0 0 0 0 53 54 1 0 0 0 0 53 99 1 0 0 0 0 54100 1 0 0 0 0 55 56 1 0 0 0 0 M END