MMs02499058 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 65 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 0.7118 -1.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2112 -1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -2.6844 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5230 -1.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4096 -2.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6785 -4.3603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6785 -5.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2732 -4.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1579 -6.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0305 -5.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 -6.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2692 -4.1642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6211 -4.8140 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6604 -5.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8598 -3.9681 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8206 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 -2.4724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4360 -1.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9853 -1.6265 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2959 -2.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3373 -2.2763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4964 -2.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4505 -3.7720 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4505 -4.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2118 -4.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8024 -4.4218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9157 -5.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5760 -1.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4628 0.0654 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.9585 0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8721 -0.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7905 0.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3947 -1.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3041 -0.6260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7344 -6.3097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7344 -7.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4956 -7.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 -6.9595 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 0.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 1.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 -0.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -1.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8856 -2.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 -0.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 -0.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4445 -1.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 -2.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2519 -3.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 -4.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -6.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 -7.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 -6.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1786 -2.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7191 -6.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0063 -7.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1123 -5.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -6.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 -7.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1724 -8.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3582 -5.0722 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1990 -5.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3495 1.5611 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.9670 -0.0478 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 7 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 61 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 9 61 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 10 61 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M CHG 1 63 -1 M CHG 1 64 -1 M END