MMs01292839 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 1.2954 -0.7563 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2562 -1.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 -0.7689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8862 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -3.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5443 -3.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 -2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 -4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4524 1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9398 -1.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4987 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 2.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 2.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0968 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4067 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4140 4.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7021 2.1934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0048 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1688 4.4281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6375 4.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3938 6.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8937 6.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6374 4.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8812 3.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3812 3.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3721 2.3203 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.1374 4.7111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.1447 6.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1302 3.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6374 4.7038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 0.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0689 -2.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 -3.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3763 -4.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5704 -5.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7762 -4.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4697 2.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 4.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1331 0.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7883 -1.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6963 0.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7988 7.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4988 7.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4761 2.3808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2324 3.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2424 5.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 M END