MMs00958972 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 44 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 1.5000 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7464 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2464 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 -1.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 1.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7464 1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2464 1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2535 -1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7536 -1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0071 -2.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2607 -3.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5071 -2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2535 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5000 0.0289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0971 1.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2607 -3.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5143 -5.1672 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5139 3.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 3.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7216 1.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 -1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0971 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 3.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 2.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 1.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4029 -1.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1435 2.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8435 2.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1564 -2.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4535 -1.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 4.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0556 2.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7607 -3.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 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 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 41 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 1 25 -1 M END