IBS-ZINC06785989 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -1.4870 -1.5680 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -2.1950 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -1.5720 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -1.3990 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -0.6360 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 0.8180 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 1.2100 -3.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 2.0570 -3.6290 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3690 1.5400 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 2.0520 -5.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 1.3710 -5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 0.8070 -4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.0970 -5.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 1.2460 -7.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 2.5100 -5.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 3.0400 -4.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 2.4820 -6.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 1.6270 -7.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 1.6490 -8.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 2.4520 -9.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 3.2700 -9.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 3.3280 -7.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 3.4480 -3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 4.0390 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 5.3170 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 6.0250 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 5.4540 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 4.1800 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 6.3230 -3.5060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -0.8640 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -1.0320 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -2.3460 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.7340 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -2.8890 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -0.9550 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -2.6130 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -1.6940 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.3530 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -2.0120 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -0.7040 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -1.3340 -2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 1.4970 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.9480 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 3.4310 -5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 0.9550 -6.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 1.0010 -8.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 3.9010 -9.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 4.0080 -7.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 3.5100 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 5.7630 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 7.0180 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 3.7610 -4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -1.1130 -0.9970 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2180 -0.3160 -0.3850 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 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 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 3 53 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END