B61KZI -OEChem-04022113343D 52 55 0 1 0 0 0 0 0999 V2000 3.3064 1.5132 0.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0253 0.8452 -0.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 1.8532 0.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5812 -1.5345 0.3955 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.5652 -2.5593 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 -1.9964 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8287 -0.7604 -0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 -0.9449 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 -2.1440 -1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6889 -1.3232 1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4171 0.5912 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7653 -0.3890 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8192 -2.1483 0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -1.6182 -1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 -0.7975 1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1685 -0.7202 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -1.2187 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 0.6374 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9869 1.0688 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8011 0.7493 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5784 1.6851 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -1.5595 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 1.1801 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7628 0.3369 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 -1.0303 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3466 2.0015 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1237 2.9371 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5079 3.0953 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1598 2.2500 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 -3.1215 -0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -3.3050 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -1.3037 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 -0.5761 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7611 -2.6639 -1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 -1.2058 2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5474 -1.3990 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6245 -2.7596 1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2848 -2.7931 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 -1.7382 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 -0.2820 2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -2.2870 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4687 -0.0897 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4982 1.5750 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1317 -2.6267 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7562 2.2490 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4096 -1.6910 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4243 2.1254 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4707 3.7888 0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9324 4.0704 0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2297 2.4807 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 2.5443 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 2.8246 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 24 1 0 0 0 0 2 29 1 0 0 0 0 3 19 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 9 34 1 0 0 0 0 10 15 2 0 0 0 0 10 35 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 41 1 0 0 0 0 18 23 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 21 27 2 0 0 0 0 21 43 1 0 0 0 0 22 25 2 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$