IFLAB-ZINC04188893 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.5510 0.1130 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.2250 -0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -1.3970 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -0.3830 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -0.7020 2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.0340 3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -3.0540 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -2.7290 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -4.3940 2.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -4.8040 3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -6.3230 3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -6.6510 2.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -8.0550 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -8.2090 1.6450 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9480 -7.8300 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 -9.6400 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -10.6060 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -10.3440 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -10.1510 -2.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 -9.1440 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -9.4310 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 -10.8530 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -11.2610 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -11.9730 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8860 -12.2970 -5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 -11.9070 -5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 -11.1960 -4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -7.3860 0.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -6.5480 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 0.6110 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 0.0760 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 0.6790 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 0.6650 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 0.0940 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -2.2390 4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -3.5230 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -4.3480 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -4.5210 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -6.7000 4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -6.7850 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -8.5870 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -8.4160 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -10.2820 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -10.0960 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -10.5890 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 -11.5660 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -11.1940 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -9.4470 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 -9.0750 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 -8.1590 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 -10.3810 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 -8.6180 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7690 -11.0560 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2660 -12.2780 -3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5520 -12.8480 -5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 -12.1470 -6.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -10.8850 -5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -9.5370 -0.2490 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3830 -8.6140 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END