PUBCHEM-ZINC05964688 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0660 -0.7460 -0.0120 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7170 -2.1920 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -2.1670 -0.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5900 -2.0310 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.8860 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4000 -1.1560 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -0.4940 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.5250 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -2.9130 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -3.2310 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -4.6560 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -5.5140 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -6.8480 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -7.3370 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -6.5120 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -5.1520 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -4.0640 0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -4.1110 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -1.1470 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -0.1630 1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -1.9030 1.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -1.4780 3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -0.5330 2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -2.7030 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -1.5180 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -0.7730 -2.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -2.3390 -0.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 -2.2790 -1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 -3.2740 -3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1380 -2.6340 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -0.2450 0.0060 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.7500 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -2.6050 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 0.5030 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -0.5090 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -5.1440 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -7.5400 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -8.3970 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -6.9050 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -0.9610 3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 -1.0510 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -0.2150 3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 0.3390 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -3.3770 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 -2.3850 4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 -3.2210 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8670 -1.2710 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -4.2820 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -3.2290 -3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -3.0210 -3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3420 -1.9250 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9390 -2.5880 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0800 -3.6420 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M CHG 1 3 1 M CHG 1 33 -1 M END