MMs01170494 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 66 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 1.3054 -0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0443 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1960 -1.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 -0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5141 -2.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1832 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4758 2.3053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 3.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1576 4.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 6.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 6.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8266 8.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7812 1.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0738 2.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4492 1.7291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4434 2.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 4.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2178 3.8205 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9364 2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8077 3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5582 1.3432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0513 1.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6730 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1661 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7879 -1.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2809 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 0.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5911 -1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 -1.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 -1.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 0.9348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 0.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1399 -1.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 -1.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7017 -0.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 -0.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 -2.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5244 -3.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7141 -2.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6465 3.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8638 4.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 3.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9741 4.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3283 5.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5456 7.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0266 8.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8164 9.4829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6267 8.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3994 1.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5603 0.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1610 5.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 0.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9574 2.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2131 1.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5112 -0.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7670 -1.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0722 0.8863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3279 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1657 -3.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4754 -1.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3962 -0.6247 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 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 M END