MMs01137947 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 65 0 0 0 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 1.3055 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 -2.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 -2.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 -2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2218 -2.9550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5144 -2.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5014 -0.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8198 -2.9326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1123 -2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0994 -0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 -0.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7103 -2.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4178 -2.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0158 -2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3083 -2.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0287 -4.3877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3342 -5.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3471 -6.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6526 -7.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6655 -8.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9899 0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2695 2.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5749 1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5879 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2954 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 0.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 1.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -4.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -1.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 -3.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6348 -4.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2322 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8302 -4.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 -0.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3816 1.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4282 -4.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 -4.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -3.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5177 -5.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1636 -6.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9465 -7.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4656 -8.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6759 -10.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8655 -8.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7970 1.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5568 2.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4902 3.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0329 3.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9756 2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7585 1.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7678 0.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0080 -0.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5320 -1.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0746 -1.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 45 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 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 M END