B3M2RD -OEChem-04012115002D 80 85 0 0 0 0 0 0 0999 V2000 11.5368 0.2550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 -0.2550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2134 4.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0172 4.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4813 3.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8833 2.7896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2852 1.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4813 4.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3474 2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6153 2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3474 4.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2134 3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7493 3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0172 3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1512 2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2852 3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4192 2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4192 1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1512 1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5252 1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5252 3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 2.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2693 4.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8708 4.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9488 2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7459 2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2168 2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0139 2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7459 5.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9488 5.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4255 2.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8240 3.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -5.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -5.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1478 3.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3508 3.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -3.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8833 2.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2852 3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6882 1.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5324 3.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -3.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0834 1.4567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -1.4567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0834 3.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -3.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 2 38 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 9 69 1 0 0 0 0 10 24 1 0 0 0 0 10 26 1 0 0 0 0 10 70 1 0 0 0 0 11 33 2 0 0 0 0 11 35 1 0 0 0 0 12 34 2 0 0 0 0 12 36 1 0 0 0 0 13 19 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 21 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 22 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 23 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 24 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 35 2 0 0 0 0 28 30 1 0 0 0 0 28 36 2 0 0 0 0 29 31 2 0 0 0 0 29 71 1 0 0 0 0 30 32 2 0 0 0 0 30 72 1 0 0 0 0 31 33 1 0 0 0 0 31 39 1 0 0 0 0 32 34 1 0 0 0 0 32 40 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 37 41 2 0 0 0 0 38 42 2 0 0 0 0 39 43 2 0 0 0 0 39 75 1 0 0 0 0 40 44 2 0 0 0 0 40 76 1 0 0 0 0 41 43 1 0 0 0 0 41 77 1 0 0 0 0 42 44 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 M END $$$$