MMs03807107 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 60 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 0.7422 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 -1.2676 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8577 -0.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 -2.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 -2.5801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7576 -1.2586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3514 -0.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 -2.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7732 -3.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0154 -2.5442 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2154 -2.5442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7731 -3.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -5.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7887 -6.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0464 -7.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7576 -1.2407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1514 -0.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2576 -1.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0153 -2.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 0.0718 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5998 1.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2420 1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9842 2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2265 3.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9687 5.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 2.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 2.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 -1.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 1.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6251 0.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6878 -3.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6970 -4.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1071 -4.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1163 -5.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7033 -5.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 -6.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1318 -8.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2104 -10.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3274 0.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3182 2.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9081 1.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8989 3.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1060 -0.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2732 -3.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -9.0348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -9.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 3.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 0.0807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0935 1.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1203 4.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 -4.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 14 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 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 47 54 1 0 0 0 0 52 57 1 0 0 0 0 53 60 1 0 0 0 0 54 55 1 0 0 0 0 56 59 1 0 0 0 0 57 58 1 0 0 0 0 M END