NIH-ZINC04042234 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -1.3910 1.4060 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -0.0620 2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.5880 1.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -1.9350 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -2.7980 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -4.1570 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -4.6720 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -3.8200 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.4600 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.4490 -0.0800 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -6.0790 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -6.4950 2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -5.7440 3.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0490 -5.2140 4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -6.8080 4.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -8.0810 4.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -9.1540 4.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -7.9260 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -8.8220 2.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -6.5490 5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -6.2430 7.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -5.1210 8.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -6.2250 9.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -4.7930 3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -3.4180 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -2.5200 3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 -2.9820 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 -4.3430 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -5.2440 2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -6.9230 1.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 1.5250 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 1.8610 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.9530 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -0.1500 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.5870 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -2.4450 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -4.8100 3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -4.2100 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -7.4380 6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 -5.7240 5.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -5.2710 7.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -7.0190 7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -4.1670 8.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -5.2590 7.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -5.1900 9.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -7.0990 9.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -5.2980 9.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -6.2900 10.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -3.0270 4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -1.4570 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 -2.2800 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 -4.7020 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -6.3000 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -7.8410 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -6.2340 8.4980 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3930 -7.1230 8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 55 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 55 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END