PUBCHEM-ZINC06523533 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.0090 1.3320 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.1730 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.9260 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -2.6150 0.8960 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -2.1420 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.8560 -0.8350 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.1840 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -3.0890 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -3.3520 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -4.6100 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -4.8550 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -6.1170 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 -6.3640 -2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 -7.5310 -3.2020 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1550 -7.5600 -3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 -6.3780 -3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -5.1330 -2.9750 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9020 -8.8430 -3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -8.7520 -3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -5.7470 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -6.3560 -2.9290 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3920 -7.3490 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -7.6220 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -6.4980 -0.4860 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -8.1320 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -5.9510 -4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 1.7340 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.6990 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 1.6520 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.5620 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.0220 -2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -0.8260 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 0.7540 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -4.0280 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.6460 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -2.5300 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -4.0220 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -6.9470 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8420 -6.2160 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 -9.0200 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9070 -8.7670 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 -9.6710 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -8.9750 -4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 -9.5810 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -8.6080 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -8.4000 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -8.9770 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -8.4960 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -7.4870 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -6.5790 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -6.0640 -4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -4.9090 -4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M CHG 1 6 1 M CHG 1 14 1 M CHG 1 21 1 M END