PUBCHEM-ZINC06122982 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 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 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.7620 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.3230 3.5690 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.2000 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -0.7550 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -0.5530 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 0.5250 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -1.5620 -0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -1.2900 -1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -2.5790 -2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -0.7600 -3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.5110 2.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -1.9480 4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -2.0680 4.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 -2.2770 4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -2.7140 5.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3360 -3.0450 5.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 -3.4980 7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 -3.8060 7.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9660 -3.6680 6.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6400 -3.2190 5.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 -2.9140 4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3720 -4.0000 6.8200 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6630 -4.3940 7.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2380 -3.8800 5.9710 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3450 -0.5950 2.6280 C 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 -1.0200 -0.3810 0.0100 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 4.8830 -0.5440 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -3.3250 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -2.3750 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -2.9560 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -0.5560 -3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -1.5060 -3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 0.1590 -2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -1.4160 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 -2.1700 3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -2.8200 6.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 -3.6060 7.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 -4.1560 8.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4110 -3.1130 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 -2.5680 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -1.5250 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -0.3490 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 0.2080 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 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 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 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 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END