IBS-ZINC01800430 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0790 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.8290 -2.5140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6650 -2.3200 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -2.8960 -3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -4.0210 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -3.7040 -3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 -4.4580 -4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4700 -3.8150 -4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -2.4810 -4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 -1.7100 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -2.3370 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -1.8840 -3.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -0.9810 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -5.3250 -3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -5.0310 -3.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7090 -4.4980 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -6.3270 -3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -6.7080 -2.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8290 2.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0660 -2.2240 3.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.0470 2.4610 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.8520 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -5.4990 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2760 -4.3660 -5.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6200 -2.0260 -4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -0.6710 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -6.0150 -2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -5.7610 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0080 -2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -4.2010 -2.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -4.2000 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -7.0590 -4.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -7.8840 -4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 0.2020 -2.7290 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 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 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 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 23 1 0 0 0 0 21 40 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END