PUBCHEM-ZINC03871626 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 70 0 0 1 0 0 0 0 0999 V2000 0.5740 0.2240 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -0.8780 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -2.2240 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -0.6130 -0.5260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0860 -0.7360 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 0.7730 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 1.4560 -1.7540 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8670 2.0160 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 2.4300 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 1.9320 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 2.3940 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 1.9530 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8580 1.0460 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1430 0.5830 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 1.0250 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 0.2580 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -0.9160 -2.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 0.6130 -3.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 -0.3530 -4.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2400 -0.9650 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 0.3660 -5.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8300 1.0310 -4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0120 1.9040 -5.4190 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.1410 2.5060 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -1.3070 -5.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -0.8200 -6.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -2.1150 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -2.4460 -3.7810 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1690 -1.5000 -4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -3.3410 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -3.8700 -6.2200 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -2.6990 -6.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.0320 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 1.1760 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.3740 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.8940 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -2.2420 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -3.0640 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.4050 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 1.5910 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 0.8370 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 3.3550 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 2.7390 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 3.1140 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 2.3240 3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4520 0.7100 3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9610 -0.1170 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 0.6600 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 1.5750 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 1.1180 -5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2050 -0.3580 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 0.2750 -3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 1.7560 -3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9460 3.0770 -4.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5830 1.6670 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6130 3.1600 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -2.9880 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -1.3180 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -2.8090 -5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -4.2510 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 0.9190 -0.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 1.4880 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -2.4870 -4.7120 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4610 -1.6580 -1.3470 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6570 -2.4640 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -1.2150 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -3.0540 -3.2700 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8650 -3.0110 -4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -2.4080 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -4.0250 -2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 64 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 6 61 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 61 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 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 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 63 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 67 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 61 62 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 M CHG 1 63 -1 M CHG 1 64 1 M CHG 1 67 1 M END