B9RJ8I -OEChem-04022100472D 45 48 0 1 0 0 0 0 0999 V2000 8.9488 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2954 2.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 -1.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -0.1563 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8507 0.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 0.6124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6597 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0356 -1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0562 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3507 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3554 0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0274 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7220 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0047 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3940 -2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6767 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3713 -2.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2803 0.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 -1.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 -1.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0746 -1.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6699 -1.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8507 1.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8799 0.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1209 0.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 -1.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 1.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1161 -1.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 0.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1335 2.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2047 -2.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2826 -1.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7880 -2.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 -1.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -1.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -2.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 39 1 0 0 0 0 2 14 2 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$