DR1778 -OEChem-05042004012D 70 73 0 1 0 0 0 0 0999 V2000 13.1995 2.6701 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9067 4.2512 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0319 0.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 0.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 -0.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8879 -1.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0967 3.6648 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.1942 2.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2048 2.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -1.1530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -2.1530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -2.6530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -2.1530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.8482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -2.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -1.1530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -2.6598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -4.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 -0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -4.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -2.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4923 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5079 -0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3023 1.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3180 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2151 1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -3.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -1.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 -0.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 -0.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -3.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -2.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -1.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -4.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -3.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -1.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 -1.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -1.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -1.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 0.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 -1.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 -1.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9263 1.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5717 -0.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8839 0.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7174 1.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 37 1 0 0 0 0 16 3 1 6 0 0 0 3 61 1 0 0 0 0 19 4 1 1 0 0 0 4 62 1 0 0 0 0 5 26 2 0 0 0 0 6 30 1 0 0 0 0 6 33 1 0 0 0 0 7 32 2 0 0 0 0 8 33 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 1 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 6 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 41 1 1 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 6 0 0 0 16 21 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 25 1 0 0 0 0 20 27 1 1 0 0 0 20 28 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 29 2 0 0 0 0 26 30 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 31 2 0 0 0 0 28 60 1 0 0 0 0 29 32 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 67 1 0 0 0 0 36 38 2 0 0 0 0 36 68 1 0 0 0 0 37 39 2 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 M CHG 2 2 1 9 -1 M END $$$$