ENAMINE-ZINC05895775 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.1200 1.1680 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0090 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6420 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -0.1380 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -0.7800 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -1.9300 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -2.4370 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -1.7910 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -2.2820 -1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -3.4650 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 -2.5790 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 -1.8620 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -0.6470 0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 -2.5510 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3860 -3.9470 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6020 -4.5850 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7700 -3.8490 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7300 -2.4700 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5120 -1.8090 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4680 -0.4210 0.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0150 0.1110 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 1.6280 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5290 2.2630 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9740 1.6580 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1670 0.1400 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6610 -6.0640 0.3750 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6360 -6.7140 0.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7340 -6.6310 0.4750 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1280 1.5720 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.9120 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 0.9190 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 0.7560 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 -0.3860 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -3.3320 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -3.2750 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -3.7500 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -4.2730 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -3.5450 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 -4.5260 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7180 -4.3580 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6450 -1.9040 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0790 -0.1190 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4990 -0.3460 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2390 2.0240 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7540 1.8580 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5990 2.0660 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3550 3.3390 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5060 2.0750 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 1.8880 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 -0.2960 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2300 -0.0900 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END