DU3GQ9 -OEChem-06062108593D 71 75 0 1 0 0 0 0 0999 V2000 2.0067 -3.1973 1.3747 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4678 1.0013 -2.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 1.7992 -2.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 2.5742 0.2526 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 2.1965 -0.7366 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3458 -1.0431 1.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 1.8606 -0.6215 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4482 1.8155 2.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2911 -1.4908 -0.0303 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3006 -1.1029 -1.3358 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 -0.1155 0.5704 N 0 0 1 0 0 0 0 0 0 0 0 0 4.9229 0.4034 0.2789 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1994 1.8156 3.1013 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 -0.9777 -0.9459 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6621 0.5479 -1.0655 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7309 -1.5918 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3052 -1.2787 -0.5159 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2075 -1.3532 -0.3985 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1038 0.1887 -0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 0.9183 -1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -1.8259 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0999 1.2972 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5445 -0.5816 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 0.7733 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 0.8368 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 -1.2270 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 0.0857 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0356 -1.7612 -2.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5684 -1.5646 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 -1.9609 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5328 0.6149 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 1.5163 2.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6309 -0.1281 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4502 -1.4132 0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2994 0.6494 0.1073 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6454 1.1072 -1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0332 0.5422 -1.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 0.3812 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -0.2827 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6674 -0.0292 2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 -1.4328 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 -1.2427 0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 -2.6822 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1319 -1.8048 -1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 -2.4191 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2617 -2.9167 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -1.6221 1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4496 1.9739 -2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9184 -1.7047 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7855 -2.8219 -2.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2484 -1.2670 -3.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3493 -1.5664 -1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9564 -0.8827 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5129 -2.5828 -0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9076 3.0101 1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6759 2.5811 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 -2.0075 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1072 1.5260 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6888 2.2028 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 0.7770 -2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9524 -0.4323 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 1.2005 -2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4484 -0.3267 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9635 1.3504 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9788 1.4158 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 1.5384 2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 2.3272 3.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 1.8988 -0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5320 -0.6324 2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8357 1.0003 2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 -0.4286 2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 15 1 0 0 0 0 2 48 1 0 0 0 0 3 20 2 0 0 0 0 4 22 1 0 0 0 0 4 55 1 0 0 0 0 5 25 1 0 0 0 0 5 56 1 0 0 0 0 6 23 2 0 0 0 0 7 31 1 0 0 0 0 7 68 1 0 0 0 0 8 32 2 0 0 0 0 9 39 2 0 0 0 0 10 18 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 35 1 0 0 0 0 11 38 1 0 0 0 0 11 40 1 0 0 0 0 12 33 1 0 0 0 0 12 39 1 0 0 0 0 12 65 1 0 0 0 0 13 32 1 0 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 31 2 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 M END $$$$