IFLAB-ZINC04120654 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -10.4310 -2.1730 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7180 -3.4620 -3.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7460 -4.5840 -4.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0410 -3.2530 -5.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8050 -2.6950 -5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2170 -2.4420 -3.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -1.8760 -3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -1.5570 -5.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 -1.8140 -6.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1290 -2.3840 -6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 -0.9500 -4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -0.8560 -3.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -0.4990 -6.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -0.6480 -7.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 0.0450 -8.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.5060 -7.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 0.1830 -6.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.5790 -4.7340 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 1.4450 -5.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.8900 -4.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 1.0570 -4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.4640 -3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 2.7060 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 3.5390 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 3.1330 -3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 4.8680 -2.2620 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5560 5.2270 -1.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 5.6020 -2.5950 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.9470 -2.3330 -2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6990 -1.3740 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1540 -1.8950 -4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9950 -3.7400 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4700 -4.3050 -4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2380 -5.5020 -4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2630 -4.7430 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7450 -2.6880 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -1.6780 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 -1.5690 -7.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 -2.5870 -7.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -1.7020 -7.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -0.1450 -7.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -0.6640 -9.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 0.8920 -8.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 0.7740 -6.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 2.3160 -6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 0.0870 -4.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.8130 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 3.0240 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 3.7860 -4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 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 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 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 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END