MMs03890799 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 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 1.4391 -0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -1.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 -2.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3173 -1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 0.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 1.2235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8424 -0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5751 1.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0142 1.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2023 2.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1599 3.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4403 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8532 1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9958 1.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8812 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2683 -1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2400 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4536 1.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7357 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5827 1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0783 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7269 -0.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8799 -1.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3842 -1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5284 -2.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0241 -2.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2225 -0.3697 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0172 0.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5178 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -1.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 1.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1513 0.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 -1.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 -2.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -3.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4686 -1.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 1.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7675 2.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 2.5471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 2.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0694 3.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8594 -1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5508 -2.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0638 2.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7559 2.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7066 -2.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6814 -4.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2003 -5.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 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 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 50 51 1 0 0 0 0 M END