PUBCHEM-ZINC04703589 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 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 -1.7000 -0.6320 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -0.3510 1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -0.3380 -1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -2.2790 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -3.0370 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -4.1780 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -4.9700 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -4.1650 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -3.0240 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -6.1130 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -6.3650 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -7.4950 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -8.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -8.1320 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 -6.9950 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 -9.0260 -2.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -8.3600 -3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -8.5490 -4.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -9.7940 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -9.5940 -2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -9.5880 0.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2520 -9.8040 0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -10.3670 -0.9180 O 0 5 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -3.4490 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -2.3800 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -4.8150 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -3.7620 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -4.7930 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -3.7500 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -2.3580 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -3.4350 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 -5.6760 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -7.6880 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -6.8000 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -8.8170 -3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -7.2980 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -8.7430 -5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -7.6790 -4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -10.7150 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -9.7860 -4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -8.8980 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -10.5500 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 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 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END