B1JF2K -OEChem-04012116462D 40 44 0 1 0 0 0 0 0999 V2000 6.4262 -0.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9984 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9984 -0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 1.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 1.2811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 -0.2744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6560 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3201 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3201 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0522 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0522 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 -1.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4378 2.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -2.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5820 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5237 -0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 1.8664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 -1.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 -2.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 2.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 2.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8178 2.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3394 1.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -2.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 -2.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0429 -0.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0429 0.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 1.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 1.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 0 0 0 0 7 17 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 10 13 2 0 0 0 0 11 16 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 24 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$