PUBCHEM-ZINC06469291 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 67 0 0 1 0 0 0 0 0999 V2000 -0.1070 1.7360 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.2110 0.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6260 -0.1030 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -0.2830 1.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2350 0.0730 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.7250 1.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -2.2620 1.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1250 -1.9000 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -1.8980 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.4850 -0.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9890 -0.1570 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.2450 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 0.4580 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 0.6830 -2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 0.2040 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -0.4890 -3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.7170 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 0.4650 -5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 1.6450 -5.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -3.7780 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -4.4600 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -5.8570 1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -6.6080 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -5.9310 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -4.5320 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -8.1030 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.1890 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.0690 3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 0.3730 4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -0.5280 3.7220 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0050 -1.5330 4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -0.5620 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2930 0.0240 3.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 0.0350 4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 2.2210 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 2.0790 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 2.0970 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 0.8450 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 1.2420 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.8510 -4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -1.2720 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -0.3720 -5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 0.6000 -4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 1.7960 -6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -3.9010 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -6.3440 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -6.4800 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -4.0360 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -8.5710 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -8.5200 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.0900 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 1.2630 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -0.9310 4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.7380 3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 1.4260 4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 0.2800 5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 0.3250 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -1.4670 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -8.5270 -0.1600 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2960 -9.5510 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -8.1350 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -8.1900 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -0.5490 2.4690 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5950 -1.5200 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 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 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 59 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 59 1 M CHG 1 63 1 M END