IFLAB-ZINC04138215 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2080 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.3960 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 3.5650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 4.1640 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 4.2490 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 5.7140 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 6.2280 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 6.4690 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 6.9390 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 7.1760 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 6.9300 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 6.4590 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 7.2740 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 7.6880 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6130 7.6340 0.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 7.8810 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 8.1370 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 8.4400 3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8670 7.2600 4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 7.1960 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.1630 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1710 -2.7810 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -2.7630 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5190 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.9400 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 3.7710 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 6.0770 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 6.0680 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 6.2860 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1540 7.1230 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 6.2730 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7770 7.3450 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 9.0370 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5570 8.5980 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0350 9.3380 3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4070 6.3330 4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 7.3930 5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 8.0350 4.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 6.2570 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END