MMs02727652 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 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 1.2549 0.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 2.3194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2921 4.5819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 4.6662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 3.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7831 2.8852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 3.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 3.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6838 2.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3466 4.6320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7969 4.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1907 2.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6411 2.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6977 3.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 4.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8535 5.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4597 6.7615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 3.5281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0565 2.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2854 1.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2258 3.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9968 5.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1662 6.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5645 5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7934 4.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6241 3.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1917 3.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6574 1.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 -0.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 -1.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 1.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 4.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 5.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0315 5.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3455 1.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9561 1.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8580 3.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 5.7832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 1.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 1.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 4.7140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 5.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9830 7.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4999 6.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8073 2.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6261 4.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3104 3.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7574 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 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 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END