PUBCHEM-ZINC02952598 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.0870 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 4.3300 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 4.7840 3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 4.9950 4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 4.7520 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 4.3030 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 5.5720 5.7100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 5.1730 6.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 5.2050 6.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 7.3330 5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 8.0080 5.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 9.3900 5.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 10.0960 5.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 9.4200 5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 8.0390 5.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 11.5750 5.5110 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0360 12.1700 5.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 12.1970 5.4810 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 -2.4410 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.8280 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.8620 0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.9540 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -3.1400 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -3.5420 -3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -3.7600 -4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -3.5760 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.1780 -2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -4.1910 -5.7680 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2510 -4.3530 -6.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -4.3830 -6.3400 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.9700 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 3.9460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 4.1650 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 4.9730 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 4.9170 3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 4.1170 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 7.4560 5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 9.9170 5.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 9.9720 5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 7.5120 5.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -2.9690 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -3.6860 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -3.7460 -4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -3.0370 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 35 1 M CHG 1 37 -1 M END