MMs00514391 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7489 -1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7468 -3.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -3.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 -2.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 -1.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 -1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2511 1.2947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0920 1.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 2.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7577 3.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0561 2.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 1.4502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 0.3347 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6302 -0.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8613 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7485 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2838 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2866 -3.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7541 -3.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2188 -1.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2160 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6863 -1.2751 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.7568 -4.1275 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0397 0.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 -0.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 -2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1459 -4.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 -4.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 -2.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 2.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 3.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 4.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 4.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5451 4.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 2.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1098 -2.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9148 -4.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5878 0.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 44 1 0 0 0 0 M END