MMs03153942 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 0.7420 -1.3036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 -2.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 -3.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.9386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5364 -0.7274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0265 -3.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 -1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5863 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0554 0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5801 -2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5769 -3.3738 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.0460 -3.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1047 -4.7975 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3455 -2.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 -1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8115 -2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2837 -3.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2868 -4.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8177 -4.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7591 -6.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2282 -6.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0994 -4.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6202 -4.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7888 0.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 1.4306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2276 -0.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 -3.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 -0.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 -1.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 -3.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 -5.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 -5.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4035 -6.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9859 -7.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END