MMs00035778 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 68 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 0.7529 1.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5058 2.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7529 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7529 1.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0058 2.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5058 2.5812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7588 3.8752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2587 3.8718 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6587 4.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1377 2.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5653 3.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5687 4.6166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6079 4.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1432 5.0833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2946 5.9318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1465 6.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5742 7.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4531 5.8281 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7637 6.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9531 5.8247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7060 7.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9589 8.4228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.2060 7.1187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9589 8.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2119 9.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9648 11.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4648 11.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2119 9.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4589 8.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7119 9.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4648 11.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4589 8.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9589 8.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 0.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0379 -0.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 -1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0976 -1.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1082 3.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4082 3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8976 -1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5976 -1.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1611 4.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0971 2.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6233 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0885 8.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6147 7.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5508 4.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8037 6.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0119 9.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3671 12.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0671 12.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0566 7.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9562 7.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1589 8.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9616 9.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 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 45 1 0 0 0 0 5 6 1 0 0 0 0 5 46 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 56 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 57 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 35 36 2 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 M END