IFLAB-ZINC02699817 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 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 -1.8440 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5710 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -2.4280 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -3.8140 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -4.3520 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -3.5210 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -2.1460 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -1.5950 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 -4.1160 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 -4.3160 1.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4550 -4.8400 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1880 -5.1460 0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9030 -5.0460 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5660 -5.7610 3.1210 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.8310 -5.8910 4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8740 -5.4880 5.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1030 -4.2170 8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0250 -5.5650 6.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0410 -5.1490 7.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2380 -6.0900 7.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6330 -6.2730 8.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8540 -6.7990 9.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6180 -7.1120 7.4770 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.2160 -6.5020 6.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9760 -6.3810 5.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4660 -7.0750 10.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8580 -6.8240 11.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7460 -5.9030 10.0130 C 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 -2.1810 -4.4630 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -5.4240 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -1.5040 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -0.5220 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -3.4390 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -5.0740 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 -4.0710 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2130 -5.7230 3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9160 -4.0880 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9370 -4.8690 10.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9560 -6.5610 10.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7010 -6.0110 9.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7030 -7.6070 10.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0650 -7.7720 11.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 28 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 49 50 1 0 0 0 0 M END