PUBCHEM-ZINC06883389 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.1310 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -0.6260 -1.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 -0.3530 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -0.8040 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 -0.5270 -3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 0.2020 -4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 0.6530 -4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 0.3800 -3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 0.4740 -5.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9620 1.2290 -6.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 1.4310 -7.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0700 0.9740 -7.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 2.1170 -8.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6090 2.2720 -9.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0260 3.0760 -11.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 2.3320 -11.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 2.9090 -12.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 2.2420 -13.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 2.8300 -14.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 4.0820 -14.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 4.7480 -14.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 4.1620 -13.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 4.7100 -16.1060 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4670 4.1240 -16.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 5.8120 -16.4930 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9560 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -0.5540 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -1.3710 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 -0.8780 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 1.2200 -5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 0.7340 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 2.1990 -6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 0.6900 -7.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9190 1.2890 -10.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4720 2.7980 -9.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 3.2680 -11.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 4.0230 -10.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 1.2650 -13.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 2.3120 -15.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 5.7250 -14.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 4.6800 -12.7520 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 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END