IFLAB-ZINC04939838 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.6270 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 1.1180 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 1.4110 2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 2.8540 2.8010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 3.7010 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 3.4180 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 3.3260 4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 4.5680 4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 4.9950 5.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 4.1710 6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 2.9690 6.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 2.5540 5.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 4.5110 8.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 5.8350 8.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 6.1350 9.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 5.1160 10.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 3.7840 10.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 3.4970 9.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 2.8040 11.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 1.4320 11.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 0.8060 10.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 0.6620 12.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 1.1280 13.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 0.3720 14.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -0.8490 14.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -1.3280 13.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -0.5700 12.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -2.5050 13.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -3.3240 15.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.5550 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 1.9200 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 2.1930 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.4030 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 0.0600 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 1.0690 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 0.8180 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 3.4890 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 4.7700 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 3.9310 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 3.7280 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 5.2200 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 5.9580 5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 6.6540 7.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 7.1670 10.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 5.3800 11.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 2.4710 8.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 3.1560 12.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 2.0550 13.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4680 0.7290 15.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -1.4040 15.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -0.9450 12.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -2.8140 16.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 -3.6450 15.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -4.2210 15.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 1.9260 0.6120 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0630 1.6380 0.0030 H 0 0 0 0 0 0 0 0 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 1 55 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 2 55 1 0 0 0 0 3 4 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 55 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 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 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 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END