MMs00029415 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 70 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 1.3937 -0.5546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 0.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8157 -0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 -2.1048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7643 -2.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2692 -0.3406 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8987 1.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6398 -1.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7227 0.0300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7704 -1.0435 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0810 0.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3645 -2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4122 -3.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8657 -3.1905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2716 -1.7465 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5822 -0.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2239 -0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7251 -1.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7727 -2.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1309 0.0681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5844 0.4387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7359 1.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6321 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0856 -0.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1333 -1.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5868 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9926 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9450 1.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4915 1.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9903 1.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9426 2.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4438 2.2533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9134 -4.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3669 -3.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5075 -5.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5552 -6.7816 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1493 -8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1970 -9.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6505 -8.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 1.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 -1.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 1.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 -2.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0474 1.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2832 -1.9672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 -3.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4209 -4.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9061 -4.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7301 0.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2152 0.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 0.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6408 -1.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1260 -1.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8086 -2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4249 -1.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1554 0.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2697 2.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0724 1.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8629 1.8239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7685 3.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 -5.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8073 -6.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0680 -7.7053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4491 -9.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7912 -10.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6293 -11.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 45 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 39 40 2 0 0 0 0 39 67 1 0 0 0 0 67 68 1 0 0 0 0 M END