IBS-ZINC01775713 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -2.2240 0.2810 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -0.5400 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.7580 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -1.7600 0.3810 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.7910 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -1.1150 -0.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -2.5110 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.2650 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 1.0620 2.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.1460 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -2.5440 3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -3.0720 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -4.2490 5.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -2.0560 5.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -0.7890 5.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7160 -0.2180 5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 0.0110 5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 1.3830 5.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 2.1180 5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 1.4780 5.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 0.1040 5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -0.6280 5.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 2.4000 5.9950 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -2.1910 7.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -2.2380 7.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -2.3800 9.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -2.4260 9.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.3540 10.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 -1.8420 10.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -3.1760 10.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -3.5330 10.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -3.2130 2.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 1.3240 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -0.0910 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 0.2030 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -3.5300 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.9880 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -2.5370 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 1.8820 5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 3.1900 5.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -0.3950 5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -1.7000 5.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -1.3380 7.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -3.1110 7.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -3.0910 7.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.3190 7.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -1.5270 9.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -3.3000 9.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -0.3160 10.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.2620 11.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -4.5460 9.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 1.3020 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 32 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 31 51 1 0 0 0 0 M END