MMs02388838 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 -1.2996 0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 2.2490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 2.2510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6004 2.9979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7519 3.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9703 2.3868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1218 1.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9749 3.5007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5749 4.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 4.8003 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3774 5.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7584 4.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8371 6.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 7.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4665 3.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0755 1.9719 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -5.7047 1.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4463 2.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6592 1.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0300 2.3073 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.0300 1.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3430 3.7743 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.6536 4.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8349 3.9299 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.0349 3.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4439 2.5591 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.7545 1.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3284 1.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9109 2.2461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.0264 3.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3248 2.4979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.0118 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5199 0.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9087 -0.4945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7895 -1.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2814 -1.5531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.8925 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3844 -0.0277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5859 5.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3402 4.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 0.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3384 0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 0.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8314 5.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6713 7.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4453 8.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7953 0.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3294 0.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9019 4.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3005 -2.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8734 1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0890 -0.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9867 6.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7119 6.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 0.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6846 0.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9785 -0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 63 1 0 0 0 0 23 24 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 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 56 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 57 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 58 1 0 0 0 0 43 59 1 0 0 0 0 44 60 1 0 0 0 0 45 61 1 0 0 0 0 46 62 1 0 0 0 0 63 64 1 0 0 0 0 M END