PUBCHEM-ZINC02979792 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 0.1910 -2.3120 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -1.4330 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -2.3150 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -0.5720 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 0.4730 0.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4460 0.0410 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 0.9820 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 2.1630 1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 1.6050 -0.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 2.3730 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 1.7100 -1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 0.8620 -2.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 3.0530 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 4.0860 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 5.4940 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 6.1250 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 7.4710 -2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 8.2060 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 7.5840 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 6.2300 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 8.3630 -2.6380 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1580 9.5570 -2.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 7.7880 -2.3380 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1000 3.1940 -3.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 2.2190 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 1.1250 -4.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 2.6000 -6.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 2.1540 -6.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 2.4960 -8.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 3.2710 -8.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 3.7000 -8.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 3.3630 -6.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 3.5330 -10.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 4.2990 -10.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -2.9070 -3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -1.6970 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.0000 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -0.7820 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -2.9580 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -1.7170 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -2.9610 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -1.2490 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -0.0530 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 3.9140 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 5.5720 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 7.9490 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 9.2550 -3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 5.7440 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 4.1120 -4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 1.5420 -6.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 2.1520 -8.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 4.2910 -8.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 3.6840 -6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 3.7840 -10.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 5.3020 -10.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 4.4120 -11.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 0.1820 2.3730 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 57 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 57 -1 M END