D02IRL -OEChem-04152111342D 73 75 0 1 0 0 0 0 0999 V2000 2.8680 -1.1762 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 -1.6487 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 8.3594 2.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1195 -1.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -2.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 -2.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 -2.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5807 0.6877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 0.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1320 -1.1487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -1.6729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0807 1.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4875 2.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5753 0.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1026 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9820 -0.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9765 -0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9116 -0.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9981 0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8942 3.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4010 2.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5739 2.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9710 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8720 -1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0811 0.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1320 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7660 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2660 -3.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9296 1.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1769 0.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5320 1.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3804 -0.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0253 -0.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4606 3.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1464 3.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3278 3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1489 1.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9674 1.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6532 2.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8261 3.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0075 3.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 2.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9062 -1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5877 -0.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0359 0.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2554 -1.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8072 -2.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4886 -1.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6977 0.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1459 1.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4644 0.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4884 2.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 0.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5132 1.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5132 -2.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 0.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3486 -2.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6584 -1.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7383 -2.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7291 -3.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5760 -3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8029 -3.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 12 1 0 0 0 0 1 36 1 0 0 0 0 2 5 1 1 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 29 1 0 0 0 0 3 16 1 0 0 0 0 3 60 1 0 0 0 0 4 19 2 0 0 0 0 5 34 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 61 1 0 0 0 0 11 27 2 0 0 0 0 12 32 1 0 0 0 0 12 67 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 1 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 27 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 33 2 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 M END $$$$