IFLAB-ZINC03911076 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7010 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.1080 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.8620 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -2.1660 3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -0.7230 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -0.0980 4.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 1.2390 4.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 1.7340 4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 3.0840 4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 3.9480 3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 3.4650 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 2.1180 3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 5.3950 3.7780 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3960 5.8240 3.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 6.1580 3.4930 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0300 -0.0570 2.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -2.8360 4.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -4.0260 4.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -2.1280 6.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7490 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9720 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6530 -1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.2530 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.6450 -1.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -3.9200 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 1.0600 4.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 3.4680 4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 4.1450 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 1.7430 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.1780 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -2.5680 6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.4500 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -4.6340 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -4.6590 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -5.6020 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 24 2 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END