MMs03439234 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 44 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 1.5000 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 -1.2890 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0558 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 -2.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 -1.2823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1558 -0.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5115 -2.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0115 -2.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 1.0566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7557 -1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 1.3291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1395 2.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2441 1.3358 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6441 2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 0.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2441 1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4883 2.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9883 2.6381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5883 3.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2326 3.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 1.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 -1.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 -3.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 -3.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8741 -0.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -1.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 -1.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6293 -0.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1668 0.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1599 2.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6141 3.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2747 3.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2691 4.5385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 4.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 3.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7673 -3.8804 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 44 -1 M END