BL3J7V -OEChem-04012112492D 35 37 0 0 0 0 0 0 0999 V2000 7.1279 -1.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.9783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5754 0.1175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4423 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 2.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3552 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -2.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 -0.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6518 2.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2808 2.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 3.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2058 2.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1020 -0.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -0.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 0.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 11 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 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 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$