PUBCHEM-ZINC04557130 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 0.3030 1.5120 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 0.0140 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -0.7380 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -2.2060 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -2.8480 -1.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.8170 -0.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.0510 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -0.6570 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 0.0280 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -0.6660 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -2.0620 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -2.7550 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 -2.8480 0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -2.2360 0.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9400 -3.3640 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 -4.0120 1.7010 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9550 -4.6690 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2250 -2.9430 2.7990 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2110 -3.4270 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 -1.9750 2.6920 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0970 -2.5480 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 -1.3320 1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 -0.9140 3.8250 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8720 -1.4510 4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 0.0660 3.6620 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8970 0.6480 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 1.0510 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 1.7850 4.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 1.1110 4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -0.6240 3.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -0.9990 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 -0.1570 3.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9270 -0.7970 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5020 -2.2320 2.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6780 -2.6550 3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7730 -3.6370 3.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8590 -1.7970 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -4.8480 1.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -4.5620 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2090 -1.5380 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6790 -0.3620 -1.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 1.8700 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.9220 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 1.9310 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -0.2940 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 1.1150 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -0.0720 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -3.8420 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 -2.9610 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 -4.1430 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 1.7570 4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 0.5230 5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4950 -1.4190 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5810 -0.7400 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2210 -2.0810 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6570 -1.9450 3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -2.2410 -2.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 45 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 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 32 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 54 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 38 39 1 0 0 0 0 40 41 2 0 0 0 0 40 57 1 0 0 0 0 M CHG 1 57 -1 M END