MMs03684417 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 65 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 -0.7549 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0098 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 -1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0113 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6000 1.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 1.3075 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6451 2.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 2.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 2.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2549 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5098 -2.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7549 -1.2735 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9549 -1.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5098 -2.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7647 -3.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2647 -3.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5196 -5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7548 -1.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7450 1.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2450 1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9901 2.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4901 2.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2352 3.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4803 5.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9803 5.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2352 3.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 -1.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 -3.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5863 -3.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 -2.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -2.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3841 -1.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9579 0.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 1.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 1.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 2.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 3.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 3.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 1.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4261 -1.7949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4319 -3.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 -4.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2692 -5.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0647 -3.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2602 -2.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5565 -4.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1235 -6.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4826 -5.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0411 0.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3742 0.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0940 1.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4352 3.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0763 6.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3764 6.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0352 3.9351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 31 2 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 M END