PUBCHEM-ZINC04684293 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.7910 1.1200 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.3150 -0.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1740 -0.9990 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.4380 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -1.8740 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -2.2260 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -2.1020 -0.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5720 -2.7860 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -0.6670 -0.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6610 0.0170 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -0.5430 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -2.4390 -0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -3.7740 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -4.7700 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -6.0880 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -6.4180 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -5.4230 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -4.1050 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -3.0450 -1.1540 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3060 -2.1060 -0.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -3.1120 -1.9880 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0520 -7.7580 -1.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -8.5680 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -8.2550 0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -9.9350 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -9.7740 -2.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3450 -9.9490 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -8.3300 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -7.7800 -3.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -10.7230 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 1.3710 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 1.2080 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 1.8040 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -0.1880 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 0.2460 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -2.5580 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.9620 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -3.2480 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -1.5420 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2270 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.7940 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 0.4790 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -1.7360 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -4.5130 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -6.8620 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 -5.6800 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -10.6900 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 -10.1910 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -11.7530 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -10.5940 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -10.4990 -2.3840 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 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 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 28 29 2 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END