MMs00646459 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.3760 -0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 -2.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9228 -2.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -1.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1623 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3572 -1.6123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9544 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8303 0.7568 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4186 0.0894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4328 -1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9827 -2.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8970 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3470 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8113 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8254 -0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3753 -1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9111 -1.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3895 -2.5749 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.8537 -2.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9394 -4.0058 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4777 1.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 0.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 -1.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 -2.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0595 -3.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 -2.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4445 1.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2913 1.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 1.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 -2.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7787 1.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1713 2.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9968 0.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5511 -2.9401 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 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 13 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END