IFLAB-ZINC00213902 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5530 -1.8510 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.4130 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -4.1430 -0.5770 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -4.5300 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -5.8000 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -6.0490 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 -7.3410 -1.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3640 -7.8150 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -7.8370 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -6.9300 -1.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 -5.0850 -0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 -3.9110 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -3.6310 -0.2350 N 0 0 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -2.9970 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.3850 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -2.8440 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 -8.8340 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 -3.1500 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 M END