PUBCHEM-ZINC05431533 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 1.8420 1.1330 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.2730 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.3430 0.5670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5480 0.1670 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -1.7340 0.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -2.1570 1.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1750 -2.9260 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -0.9520 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 0.4600 1.9690 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -2.8260 2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -2.4780 3.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -3.9550 2.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -4.7320 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.5300 4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -7.3490 5.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -8.0350 6.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -7.0950 7.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -6.0760 7.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -5.2840 6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -2.6440 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -3.8580 -0.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -2.1510 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -2.6190 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -2.1610 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -1.2570 -4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -0.8200 -3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -1.2740 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -0.8870 -5.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 0.0400 -6.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 1.1030 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 1.5620 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 1.8050 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -0.9070 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -0.6840 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -0.7930 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -1.0270 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -4.2230 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -5.4090 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -4.0340 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -4.9090 4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -6.3040 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -8.0550 5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -6.8740 6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -8.7940 7.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -8.5380 6.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -5.4040 7.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -6.5330 6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -4.7940 6.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -4.5490 5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -3.3270 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -2.5120 -4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.1320 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.9420 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 0.2340 -7.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -0.3780 -6.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 0.9930 -5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -6.2390 5.1340 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9970 -6.6830 4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 57 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END