IFLAB-ZINC04315298 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.4090 1.6260 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.1440 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -0.4070 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -1.7670 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -2.6000 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.0880 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -0.6970 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -0.1170 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -2.9210 -2.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -4.2850 -2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -5.0520 -1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.8570 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -6.8360 -3.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -8.3450 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -9.0770 -4.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -8.5710 -4.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2130 -8.8240 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -7.0460 -4.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -9.2180 -5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -10.4730 -5.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -11.0850 -5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -10.7560 -7.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -11.8710 -7.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -11.8080 -9.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -10.6840 -9.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -9.5790 -9.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -9.6250 -7.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -8.6860 -7.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 2.1060 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 1.8180 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 2.1040 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 0.2250 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -2.1800 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -3.6520 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -0.2850 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -0.5840 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 0.9600 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.4450 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4660 -4.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -4.6080 -4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -6.5340 -4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -6.3250 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -8.6020 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -8.6850 -2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -10.1540 -4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -8.9380 -5.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -6.6760 -4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -6.7180 -5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -12.7460 -7.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -12.6530 -9.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -10.6660 -10.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -8.7070 -9.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -6.3790 -3.5420 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5210 -6.6330 -2.7040 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END