B9CJE2 -OEChem-04022100282D 68 72 0 1 0 0 0 0 0999 V2000 7.4343 -2.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -4.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3283 -6.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4343 1.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6944 0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -3.0020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2022 -4.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9343 -3.0020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0682 -2.5020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3083 -4.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0682 -4.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -2.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9343 -3.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -4.0228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4022 -2.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -2.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8183 -5.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8183 -5.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1253 0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7433 0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4343 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8465 2.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 3.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 4.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 5.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 5.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8911 6.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8856 6.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2088 -4.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 -2.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 -4.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 -4.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 -4.5846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5449 -3.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 -1.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 -1.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -3.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5169 -2.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -3.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -2.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -3.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 -2.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -1.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5822 -2.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3388 -5.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -5.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5313 -1.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 -5.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1344 -5.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 -5.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4712 -1.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 -6.8091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5356 0.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2299 2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8698 3.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 4.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4311 4.5849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 5.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0900 6.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 7.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 7.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 14 1 0 0 0 0 15 2 1 6 0 0 0 2 57 1 0 0 0 0 3 18 1 0 0 0 0 3 59 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 6 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 19 1 6 0 0 0 9 36 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 1 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 21 2 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 60 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 31 33 2 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 M END $$$$