B3IWP7 -OEChem-04012116352D 76 76 0 1 0 0 0 0 0999 V2000 5.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 27 1 0 0 0 0 3 29 1 0 0 0 0 4 26 2 0 0 0 0 5 27 2 0 0 0 0 12 6 1 1 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 18 1 0 0 0 0 21 7 1 6 0 0 0 7 51 1 0 0 0 0 14 8 1 1 0 0 0 8 27 1 0 0 0 0 8 58 1 0 0 0 0 9 28 1 0 0 0 0 9 31 2 0 0 0 0 10 31 1 0 0 0 0 10 70 1 0 0 0 0 10 71 1 0 0 0 0 11 31 1 0 0 0 0 11 72 1 0 0 0 0 11 73 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 37 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 42 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 21 50 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 28 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 32 34 1 0 0 0 0 32 68 1 0 0 0 0 33 35 2 0 0 0 0 33 69 1 0 0 0 0 34 36 2 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 M END $$$$