IFLAB-ZINC04553821 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 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 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0790 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0660 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.2510 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -4.8650 1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.9190 -1.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.3840 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -6.8860 -2.6450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9490 -6.5080 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -8.3930 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -9.1460 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -10.5110 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -10.8670 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -9.4270 -1.9220 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -6.2970 -3.4830 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -6.8400 -2.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -4.9070 -3.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -7.0640 -5.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -8.2500 -5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -8.6490 -6.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -7.7880 -7.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -6.3790 -6.5010 S 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 0.0250 -0.1610 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6200 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5970 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -4.4290 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -6.7380 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -6.7620 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -8.7220 -3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -11.2340 -3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -11.8840 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -8.8530 -4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -9.5880 -7.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -7.9310 -8.4980 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 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 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 M END