B4I1TG -OEChem-04012115282D 72 75 0 0 0 0 0 0 0999 V2000 4.5981 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 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 5.4641 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 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 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 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 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 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 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 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 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8441 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 19 1 0 0 0 0 6 52 1 0 0 0 0 7 23 1 0 0 0 0 7 32 1 0 0 0 0 7 66 1 0 0 0 0 8 31 1 0 0 0 0 8 35 1 0 0 0 0 8 71 1 0 0 0 0 9 32 1 0 0 0 0 9 35 2 0 0 0 0 10 32 2 0 0 0 0 10 37 1 0 0 0 0 11 38 3 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 50 1 0 0 0 0 21 23 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 67 1 0 0 0 0 30 33 1 0 0 0 0 30 68 1 0 0 0 0 31 34 1 0 0 0 0 33 34 2 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 72 1 0 0 0 0 M END $$$$