DR0715 -OEChem-05042004302D 56 59 0 1 0 0 0 0 0999 V2000 5.6489 -3.3046 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9821 2.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 3.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.7647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.2353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.7353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.2353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 1.0694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.2647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.7647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -0.7421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.3046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 2.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 2.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 1.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 0.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.9535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 1.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2423 2.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5458 3.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 6 0 0 0 14 2 1 1 0 0 0 2 51 1 0 0 0 0 3 20 2 0 0 0 0 4 25 1 0 0 0 0 4 56 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 29 1 1 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 30 1 6 0 0 0 10 13 1 0 0 0 0 10 20 1 1 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 21 1 6 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 19 1 0 0 0 0 15 22 1 1 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 M END $$$$