PUBCHEM-ZINC06321947 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3720 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 0.0220 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 1.3980 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.5600 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 4.1570 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 4.2470 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 5.6960 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 6.2870 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 5.4570 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 5.9990 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1690 7.3710 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 8.2050 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 7.6650 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 8.4740 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 9.8410 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 10.3410 -0.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 9.7000 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 5.1090 0.0460 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0350 3.9000 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 5.5850 0.0540 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2300 -2.0790 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.9210 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -4.3250 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -4.2950 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.8250 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -2.3830 -0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9000 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -0.5100 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 1.9460 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 6.0310 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 6.0220 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 4.3850 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 7.7920 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 10.4260 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 9.9080 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 10.0170 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 9.9730 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -2.5370 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -2.9590 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.4560 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -5.1030 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -4.8340 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -4.7200 -1.0970 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 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 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END