IFLAB-ZINC05183305 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -1.2300 1.8390 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 0.3440 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.0410 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -1.4720 -0.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.3950 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -2.1310 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -3.1890 -3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -4.5050 -2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -4.7960 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -3.7310 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -3.8210 -0.0900 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -2.0380 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -1.3760 0.9270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -2.0860 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.6630 2.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -2.0980 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -1.3130 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -1.3560 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 -2.1820 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 -2.9700 1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -2.9220 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -3.8210 2.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 -3.9230 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -5.8610 -3.8920 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -6.9570 -2.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -5.3460 -4.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -6.0670 -5.1650 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.3420 -6.3850 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 2.4070 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 2.1600 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 2.0920 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 0.0480 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -0.1950 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 0.2770 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 0.5130 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -1.1220 -2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -2.9870 -3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -5.8170 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -0.6610 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 -0.7450 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 -2.1870 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -3.5400 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 -4.3040 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 -2.9640 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2680 -4.6420 2.7490 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 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END