MMs01212691 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 55 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 0.7552 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -3.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 -3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -5.1840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -5.3348 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6725 -5.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 -6.8007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -7.5559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5744 -8.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 -6.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 -6.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3844 -9.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 -4.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 -2.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0425 -1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5109 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9802 -3.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 -4.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4503 -5.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 -2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -3.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 -1.3081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7447 -1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4895 -2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 0.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 -0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 -2.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3602 -4.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -5.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 -2.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 -8.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 -10.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -9.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 -2.5465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -0.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3103 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1550 -3.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3105 -6.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 -7.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5901 -5.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6489 -0.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9447 -1.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4632 0.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1042 1.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 -0.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5311 -2.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0853 -3.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 -3.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 22 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 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END