IBS-ZINC04071271 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3060 0.0090 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 -1.2930 -0.7750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.7000 -1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -2.4980 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -2.4320 -0.2430 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -3.3480 -2.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -3.4030 -3.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -4.2840 -4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -4.3390 -5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -5.2120 -6.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -6.0310 -6.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -5.9780 -5.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -5.1120 -4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -6.9650 -7.6270 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4730 -7.0120 -8.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -7.6870 -7.8030 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9120 1.8580 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8330 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.5310 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.3390 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -0.0810 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -1.7370 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -3.9230 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -2.8280 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -3.7000 -5.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -5.2550 -6.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -6.6190 -5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -5.0740 -3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 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 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 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 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END