IFLAB-ZINC04316577 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0480 1.5610 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.1100 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.5930 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -1.9570 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -2.7550 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -3.9800 -0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -1.9880 -1.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.4890 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -0.6010 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -0.0750 -2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -2.2810 2.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -1.0860 3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.0600 2.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -0.9880 4.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -0.0400 5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -0.7020 6.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.3110 6.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -1.6360 5.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -3.6360 2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -4.1560 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -5.5550 3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -6.6460 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -7.9410 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -8.1590 4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -7.0810 5.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -5.7840 4.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.8850 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 1.9650 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 1.9500 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 0.3160 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.8370 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -1.5090 5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 0.0250 6.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -2.6580 7.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -3.1470 6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -0.8660 5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -2.3560 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -3.6730 3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -4.2640 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -4.1510 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -3.4840 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -6.4930 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -8.7810 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -9.1690 4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -7.2530 6.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -4.9590 5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -1.3250 7.2460 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0690 -1.7960 8.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.5850 7.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 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 18 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 47 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 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 26 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 M CHG 1 47 1 M END