Molbank-00-180-structures.cdx corina 12250915133D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 58 57 0 0 0 0 0 0 0 0999 V2000 -0.0164 1.3616 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 -0.6513 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 0.1333 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3437 1.4672 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1814 2.0732 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -0.7960 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 -2.0521 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -2.6405 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -1.8709 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -0.5114 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 11.0753 10.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0215 9.7096 10.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2715 9.0625 10.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4512 9.8470 10.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3631 11.1809 10.2457 N 0 3 0 0 0 0 0 0 0 0 0 0 11.2008 11.7869 10.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7394 8.9177 10.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 7.6616 10.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5971 7.0732 10.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7588 7.8428 10.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7006 9.2023 10.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5900 11.9814 10.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0718 12.1630 8.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3531 12.9990 8.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8349 13.1806 7.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1162 14.0167 7.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5908 14.1955 5.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9680 13.7046 5.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7053 14.9001 5.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7053 19.9001 15.2682 Br 0 5 0 0 0 0 0 0 0 0 0 0 29.3006 26.3210 22.1437 S 0 0 0 0 0 0 0 0 0 0 0 0 29.3199 24.9001 22.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2624 26.8021 22.1275 Cl 0 0 0 0 0 0 0 0 0 0 0 0 28.7053 26.7776 20.2682 Cl 0 0 0 0 0 0 0 0 0 0 0 0 36.2624 33.2310 27.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2818 31.8021 27.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 41.2818 48.1082 32.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4559 48.8059 32.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6608 48.0781 32.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6081 46.6623 32.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4246 46.0406 32.1836 N 0 3 0 0 0 0 0 0 0 0 0 0 41.3007 46.7151 32.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4615 50.3128 32.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9066 48.7262 32.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0495 47.9867 32.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0001 46.5940 32.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8104 45.9336 32.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3830 44.5762 32.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5073 44.0552 33.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4638 42.5258 33.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5881 42.0048 35.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5446 40.4754 35.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6670 39.9622 36.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7778 40.7398 37.3566 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6531 38.6411 36.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7719 38.2310 38.0197 R 0 0 0 0 0 0 0 0 0 0 0 0 51.0495 55.3128 43.0197 X 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 3 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 4 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 13 18 1 0 14 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 15 1 0 23 16 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 28 29 2 0 28 30 1 0 32 33 2 0 32 34 1 0 32 35 1 0 36 37 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 38 1 0 39 44 1 0 40 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 41 1 0 49 42 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 38 39 2 0 54 55 2 0 54 56 1 0 56 57 1 0 M CHG 4 16 1 31 -1 42 1 58 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 32 33 34 35 36 37 M SMT 1 SOCl2 MeOH M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 56 57 M SBL 2 1 56 M SMT 2 OR M SBV 2 56 -0.7120 -0.4111 M END $$$$