PUBCHEM-ZINC05887332 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -2.5650 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -3.8880 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -4.6600 -0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -4.4100 -0.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9170 -4.1330 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 -3.8040 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 -4.2340 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 -3.6380 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5450 -4.3300 -3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2460 -3.7820 -4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8440 -2.5430 -4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7400 -1.8510 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0430 -2.4000 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -5.8690 -0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -6.3100 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 -6.5990 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 -6.0480 0.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -8.1000 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5160 -8.4940 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -8.4830 -1.4750 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3490 -8.0150 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -9.9800 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -10.6950 -0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -7.9110 -2.3000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -8.6510 0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.9480 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 -2.7170 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -4.1530 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -5.3220 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 -3.8860 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 -5.2980 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3270 -4.3220 -5.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3910 -2.1140 -5.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2070 -0.8830 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9650 -1.8620 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -8.5570 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 -8.3440 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 -10.5200 -2.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -11.4850 -2.6930 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 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 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 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 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 18 2 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 54 55 1 0 0 0 0 M END