MMs01782877 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 69 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 0.7444 -1.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 -1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2444 -1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4888 -2.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 -2.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -3.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -3.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2332 -3.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 -5.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2555 1.2765 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0555 1.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 2.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 3.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 4.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 6.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2212 7.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8483 6.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 5.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 4.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 2.8969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 2.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 3.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5111 2.5659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1111 3.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 1.2701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7555 1.2572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0111 2.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7666 3.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2555 1.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 -0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3839 -1.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4943 -2.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7966 -1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4910 -0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0418 0.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5955 1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -0.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4044 1.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 -1.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 -2.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -3.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7281 -5.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -4.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8732 -6.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 -5.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 6.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3518 8.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 7.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 4.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 5.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 4.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7865 -1.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1258 -0.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0522 2.4334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3849 1.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2091 -1.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3638 -3.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8907 -2.1760 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 37 2 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 62 1 0 0 0 0 38 39 2 0 0 0 0 38 63 1 0 0 0 0 39 40 1 0 0 0 0 39 64 1 0 0 0 0 M END