MMs01636774 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.3045 -0.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 -0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 -2.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -2.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -2.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 -4.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 -2.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0985 -0.6834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1095 -2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 -2.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 0.0761 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1515 -1.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6325 1.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6855 0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8314 2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2963 2.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0558 1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0603 0.2355 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5487 1.2117 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 0.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 1.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9373 -0.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 -4.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -1.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0128 -3.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 -4.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3203 -0.9195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 0.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 0.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5586 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2897 -1.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5282 -3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0514 -3.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5940 -3.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9338 3.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7763 3.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END