ASINEX-ZINC04133529 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 0.0690 1.6280 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.1290 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -0.5850 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -1.9890 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -2.6870 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -4.1490 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -4.8030 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.0230 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -4.5680 -3.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -2.6530 -2.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -2.1320 -3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -1.9650 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.5710 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -6.3040 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -6.8980 -1.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -7.2120 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -8.7270 -2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -10.4290 -4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -8.7990 -4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -7.1630 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -7.2680 1.4140 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -7.3570 -0.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -7.8820 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -8.8850 -0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5750 -9.7590 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3580 -9.2950 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 -8.3000 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 -8.1140 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 -8.2590 -1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -2.6920 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 2.0370 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 2.0070 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.9960 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -0.0350 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -4.7030 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -0.0240 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -6.6060 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -6.7230 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -6.6620 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -6.8470 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -9.2020 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -9.2090 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -11.1370 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -10.5170 -4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -10.5770 -5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -7.7620 -3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -9.4940 -3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -8.9790 -5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -7.0770 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -8.3560 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -7.0120 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -10.3040 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 -9.3020 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4340 -8.6420 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -7.3550 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5840 -8.8900 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 -7.1350 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -3.3670 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -3.2580 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -1.9820 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -9.0310 -4.1670 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2660 -8.3950 -4.8730 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 13 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 12 2 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 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 61 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 61 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 61 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END