BQH1K5 -OEChem-04022105102D 77 82 0 1 0 0 0 0 0999 V2000 3.3660 3.4061 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7721 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 5.1381 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5195 -1.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 -3.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7876 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3334 -6.2721 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6015 -6.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 1.2374 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 4.2721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4733 -5.7621 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 2.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 3.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5426 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4028 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3913 -1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2746 0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2514 -1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1348 -0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1232 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5079 -2.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6362 -3.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3681 -3.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6246 -4.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 -4.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4848 -4.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7760 -2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 4.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 4.8547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9478 3.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1496 3.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 3.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.6895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 5.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 5.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0711 2.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6693 3.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6693 1.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0711 1.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9333 0.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3239 -0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2817 0.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 6.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2443 -2.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6752 0.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6565 -1.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9086 -2.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0841 -4.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8899 -4.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8971 -3.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 31 1 0 0 0 0 4 40 1 0 0 0 0 5 46 1 0 0 0 0 5 77 1 0 0 0 0 6 46 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 27 1 0 0 0 0 12 45 1 0 0 0 0 13 18 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 19 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 25 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 24 28 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 2 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 33 2 0 0 0 0 29 32 2 0 0 0 0 29 66 1 0 0 0 0 30 34 1 0 0 0 0 30 67 1 0 0 0 0 31 36 2 0 0 0 0 32 35 1 0 0 0 0 32 38 1 0 0 0 0 33 37 1 0 0 0 0 33 68 1 0 0 0 0 34 35 2 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 36 39 1 0 0 0 0 36 71 1 0 0 0 0 37 39 2 0 0 0 0 37 72 1 0 0 0 0 39 73 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 46 1 0 0 0 0 42 44 2 0 0 0 0 42 74 1 0 0 0 0 43 45 2 0 0 0 0 43 75 1 0 0 0 0 44 45 1 0 0 0 0 44 76 1 0 0 0 0 M CHG 2 7 -1 12 1 M END $$$$