IBS-ZINC04293268 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1050 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5330 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -1.9290 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -2.6750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0300 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -2.7540 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -4.1770 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -2.6140 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -3.8320 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -1.8580 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3610 -2.4890 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 -1.7330 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8390 -2.2460 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7090 -1.1530 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9300 -0.0180 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -0.3860 0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4300 1.3700 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4080 1.7730 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8710 3.0720 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3690 3.9760 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4010 3.5850 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9330 2.2870 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9010 1.8690 2.0160 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.4690 2.6690 2.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4850 0.7240 2.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1840 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0460 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -3.7550 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -4.6310 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -0.7790 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 -3.5680 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1160 -3.2890 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7880 -1.1920 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7990 1.0680 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6260 3.3840 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7360 4.9920 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0140 4.2960 1.7570 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 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 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