IBS-ZINC02260546 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 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 -2.3740 0.1060 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5320 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9290 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -2.6720 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -2.0250 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.8250 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -3.1620 1.6750 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -4.0900 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -4.5370 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -5.2640 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -5.5210 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -5.0470 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -4.3600 0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6160 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 -1.9240 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2930 -2.5770 0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4340 -1.8580 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3860 -0.6430 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7380 -2.5460 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7970 -3.9420 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0200 -4.5780 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1920 -3.8390 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1480 -2.4590 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9260 -1.8020 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8820 -0.4460 0.1180 O 0 0 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 -2.3290 1.1850 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 0.0460 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -3.7510 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -3.7670 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -2.2590 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -4.3190 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -5.6230 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 -6.0850 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -5.2450 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -3.6950 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 -3.5460 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8860 -4.5210 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0640 -5.6570 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1450 -4.3460 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0660 -1.8910 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8800 -0.0450 -0.7620 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 17 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 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 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 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 M END