IBS-ZINC02212721 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 64 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 0.1280 -0.7240 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -2.1230 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7150 -0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -2.0010 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -0.6740 -1.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -2.6600 -2.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -1.7070 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -2.4740 -4.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -4.3650 -3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -3.5980 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -4.1150 -6.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -4.8780 -6.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -4.2700 -6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -4.9660 -6.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -6.2730 -6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -6.8850 -5.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -6.1840 -5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -8.1580 -5.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -8.4550 -5.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -7.1640 -6.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -2.9520 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -2.1680 3.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2100 -1.9620 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.8450 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.0250 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 1.1640 2.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -2.9810 4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -3.3940 5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -4.1200 6.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -4.1080 6.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -3.4210 5.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.8640 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.8540 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -1.1320 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -1.0320 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -1.7720 -5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -3.0280 -4.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -4.9410 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -5.0410 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -4.3010 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -3.0440 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -4.8100 -6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -3.3900 -6.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -3.2510 -6.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 -4.4890 -7.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -6.6570 -5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -8.9220 -6.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -9.0960 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -3.8450 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -3.2490 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.3090 4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -1.0420 3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -3.2060 5.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -4.5930 7.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -4.5740 6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -3.4130 -4.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 27 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 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 59 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 59 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 13 59 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 M END