B12MWQ -OEChem-04022105062D 95100 0 1 0 0 0 0 0999 V2000 7.1962 -2.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 4.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4101 8.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8278 8.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.1366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.1855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.1366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -4.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -3.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -4.4023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -3.4022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -2.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -9.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 2.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 3.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 6.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0425 5.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 7.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6303 6.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2235 7.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8223 8.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 -1.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 -1.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -7.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 -0.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -6.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -9.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -9.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 1.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -7.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -10.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -6.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 3.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 2.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2976 3.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 4.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 6.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2947 4.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2469 6.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 7.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 9.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 16 2 1 6 0 0 0 2 22 1 0 0 0 0 17 3 1 1 0 0 0 3 23 1 0 0 0 0 19 4 1 6 0 0 0 4 24 1 0 0 0 0 20 5 1 6 0 0 0 5 25 1 0 0 0 0 6 21 1 0 0 0 0 6 26 1 0 0 0 0 7 22 2 0 0 0 0 8 23 2 0 0 0 0 9 24 2 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 56 1 0 0 0 0 11 95 1 0 0 0 0 12 56 2 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 57 1 0 0 0 0 17 19 1 0 0 0 0 17 58 1 0 0 0 0 18 21 1 1 0 0 0 18 59 1 0 0 0 0 19 20 1 0 0 0 0 19 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 30 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 37 2 0 0 0 0 31 38 1 0 0 0 0 31 69 1 0 0 0 0 32 39 2 0 0 0 0 32 70 1 0 0 0 0 33 40 1 0 0 0 0 33 71 1 0 0 0 0 34 41 2 0 0 0 0 34 72 1 0 0 0 0 35 43 1 0 0 0 0 35 74 1 0 0 0 0 36 44 2 0 0 0 0 36 75 1 0 0 0 0 37 73 1 0 0 0 0 38 45 2 0 0 0 0 38 76 1 0 0 0 0 39 45 1 0 0 0 0 39 77 1 0 0 0 0 40 46 2 0 0 0 0 40 78 1 0 0 0 0 41 46 1 0 0 0 0 41 79 1 0 0 0 0 42 48 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 43 47 2 0 0 0 0 43 82 1 0 0 0 0 44 47 1 0 0 0 0 44 83 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 47 86 1 0 0 0 0 48 49 1 0 0 0 0 48 87 1 0 0 0 0 48 88 1 0 0 0 0 49 89 1 0 0 0 0 49 90 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 51 53 2 0 0 0 0 51 91 1 0 0 0 0 52 54 1 0 0 0 0 52 92 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 54 55 2 0 0 0 0 54 93 1 0 0 0 0 55 94 1 0 0 0 0 M END $$$$