MMs00454384 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 45 0 0 0 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 0.0674 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 -3.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 -4.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5761 -6.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 -7.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0782 -6.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 -5.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -4.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8281 -3.0132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7726 -1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1703 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2756 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3283 -3.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9328 -5.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5804 -3.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -2.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 -5.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7378 -6.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -7.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0624 -7.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7323 -6.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -4.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2295 -6.1582 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 0.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 1.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -0.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9956 -6.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3089 -8.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9198 -7.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7777 -1.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 -1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 -2.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4127 -4.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0286 -6.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1275 -5.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1389 -6.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -8.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 -8.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 -3.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 18 2 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 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 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 M END