B9KOP4 -OEChem-04012115022D 49 52 0 0 0 0 0 0 0999 V2000 8.9984 -1.7166 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 0.4355 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 0.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -0.1074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3347 -1.0780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.1400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -0.5825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7779 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3760 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3760 -0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 -0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 0.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9119 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2699 -1.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2699 0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1760 -1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1760 -0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8074 -0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -0.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 -0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3794 -2.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1765 -2.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 -2.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1070 0.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 0.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -2.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 0.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7118 -1.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2681 0.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7118 0.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 -1.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 -0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 0.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 2.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 2.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7957 -1.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 -2.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9285 -1.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 22 2 0 0 0 0 4 20 1 0 0 0 0 4 21 2 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 40 1 0 0 0 0 6 24 2 0 0 0 0 6 26 1 0 0 0 0 7 25 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 39 1 0 0 0 0 20 38 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$