MMs03916304 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 0.7595 -1.2935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7786 -3.8915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2786 -3.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 -5.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -2.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -2.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 -1.2825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8518 -0.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4809 -2.6090 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 -3.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7212 -3.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4617 -5.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9616 -5.2401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7212 -3.9467 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5697 -3.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0146 -4.7062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.6146 -5.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2551 -5.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6327 -7.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4663 -4.3286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5192 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1203 -6.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9709 -5.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3698 -3.5735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8215 -3.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2203 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0237 -6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7782 -7.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1096 -8.2585 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -15.1781 -7.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5069 -5.8642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.6578 -7.4512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9807 -2.6421 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4808 -2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 -6.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 -6.5116 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0348 0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 -0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 -4.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -5.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7854 -3.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0635 -1.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5394 -0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3771 -2.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7050 -8.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4199 -6.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0796 -8.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3562 -2.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6978 -1.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4426 -7.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 49 1 0 0 0 0 34 50 1 0 0 0 0 35 36 1 0 0 0 0 36 51 1 0 0 0 0 36 52 1 0 0 0 0 37 38 1 0 0 0 0 37 53 2 0 0 0 0 M CHG 1 38 -1 M END