D0K4JQ -OEChem-04152111252D 110116 0 1 0 0 0 0 0999 V2000 17.8889 -4.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5069 -4.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3790 -0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9503 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7693 -1.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 3.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1979 -2.0722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6101 -1.2632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9192 -0.3121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 3.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3680 -0.5587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3347 2.8020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0257 1.8510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 2.0976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6979 -3.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1979 -2.0722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8889 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5069 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6101 -1.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7857 -1.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1979 -5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1979 -5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7802 -1.3677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1870 -2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 3.6110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0559 4.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3011 -0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 4.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1101 0.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1815 -2.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5992 -3.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 2.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 2.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 2.9066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3501 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 3.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3625 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6437 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1422 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6069 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 3.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 4.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8347 1.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5948 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1911 1.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6559 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4479 0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4969 0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8027 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3379 2.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9448 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5838 -1.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3225 -2.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5789 -3.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8169 -3.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0733 -2.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5915 -5.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2627 -5.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1331 -5.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8044 -5.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3968 -1.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4391 -2.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2457 -1.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 3.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6223 4.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3659 5.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6618 5.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 5.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 5.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8715 4.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1158 0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1101 0.8956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1167 -3.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7981 -2.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2463 -1.7692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0976 -2.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2348 -3.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1008 -3.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 2.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 3.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 3.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 1.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6029 1.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7358 -1.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 4.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 3.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8472 4.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 4.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8347 0.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0622 1.8905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1951 -0.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3419 0.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 2.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8827 -0.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7497 2.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8800 -0.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5614 -0.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0097 0.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 2.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 0.8810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 23 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 22 2 0 0 0 0 4 36 2 0 0 0 0 5 40 1 0 0 0 0 5 57 1 0 0 0 0 6 40 2 0 0 0 0 7 52 1 0 0 0 0 7 58 1 0 0 0 0 8 52 2 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 10 21 1 0 0 0 0 10 29 1 0 0 0 0 10 70 1 0 0 0 0 11 21 2 0 0 0 0 11 32 1 0 0 0 0 12 27 1 0 0 0 0 12 31 1 0 0 0 0 12 36 1 0 0 0 0 25 13 1 1 0 0 0 13 40 1 0 0 0 0 13 78 1 0 0 0 0 14 35 1 0 0 0 0 14 41 1 0 0 0 0 14 88 1 0 0 0 0 15 35 2 0 0 0 0 15 46 1 0 0 0 0 37 16 1 1 0 0 0 16 52 1 0 0 0 0 16 89 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 59 1 6 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 68 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 26 69 1 0 0 0 0 27 28 1 0 0 0 0 27 35 1 0 0 0 0 27 71 1 6 0 0 0 28 30 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 32 2 0 0 0 0 29 38 1 0 0 0 0 30 31 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 36 37 1 0 0 0 0 37 39 1 0 0 0 0 37 86 1 0 0 0 0 38 42 2 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 39 45 1 0 0 0 0 39 87 1 0 0 0 0 41 46 2 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 42 90 1 0 0 0 0 43 49 2 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 46 98 1 0 0 0 0 47 53 2 0 0 0 0 47 54 1 0 0 0 0 48 50 2 0 0 0 0 48 99 1 0 0 0 0 49 50 1 0 0 0 0 49100 1 0 0 0 0 50 51 1 0 0 0 0 51 55 2 0 0 0 0 51 56 1 0 0 0 0 53 55 1 0 0 0 0 53101 1 0 0 0 0 54 56 2 0 0 0 0 54102 1 0 0 0 0 55103 1 0 0 0 0 56104 1 0 0 0 0 57105 1 0 0 0 0 57106 1 0 0 0 0 57107 1 0 0 0 0 58108 1 0 0 0 0 58109 1 0 0 0 0 58110 1 0 0 0 0 M END $$$$