MMs01961495 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 0.7438 -1.3026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4562 -1.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -3.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 -2.5910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2684 -3.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7684 -3.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5245 -5.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0404 -7.5464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9206 -8.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3358 -6.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 -5.3246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -1.3097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -0.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6745 1.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5556 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7733 0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1407 -0.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3584 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7258 -0.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8756 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6579 -2.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2430 -2.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4606 -1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 -2.0706 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 -3.9517 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 -1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 -4.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4824 -5.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 -2.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8941 -3.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 -6.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4344 -7.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6535 1.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 1.7587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7000 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7777 -3.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 -2.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1614 -2.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4348 -0.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7599 -0.3109 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 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 M END