MMs02596981 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 1.2996 0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4969 2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7550 -0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7931 -1.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0938 0.7431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0950 2.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3946 2.9921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6931 2.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6919 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3912 -1.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1181 0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0007 1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 2.7035 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5007 1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2498 0.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2517 2.7866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7517 2.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5027 4.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0027 4.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7517 2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0007 1.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5007 1.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5806 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 -0.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 1.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -0.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 1.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6697 1.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 -1.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7922 -2.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 -1.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0562 2.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6525 3.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9035 5.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6035 5.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9517 2.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6000 0.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9000 0.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4390 -1.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9505 -2.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7221 -0.7805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 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 10 1 0 0 0 0 8 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END