MMs01698902 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 1.2971 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 -0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4933 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -2.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0913 -0.7730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5528 1.4651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0208 1.7732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7676 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7610 -0.6399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0692 -2.1079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2589 0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2654 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6342 0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0061 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2174 0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0568 -0.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6849 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4737 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0056 -0.9892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9573 2.8919 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 -1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 -1.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -1.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3717 0.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6642 -1.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1992 1.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 0.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5679 0.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 -2.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2095 -2.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1345 2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3149 1.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0258 -1.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5565 -2.7589 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 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 1 0 0 0 0 M END