IBS-ZINC04040161 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -1.3680 1.1110 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.1600 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.8440 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -1.9570 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -1.9640 -0.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -2.6350 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -0.8720 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -0.5320 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 0.4640 -2.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -1.3220 -3.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -0.9240 -4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -2.9830 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.4500 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -0.5520 3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -1.1600 2.8940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8280 -0.6190 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -1.0340 4.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -0.4300 5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -0.1800 6.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -0.1180 4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 0.4230 5.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -1.4910 4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -2.9360 4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -4.8410 4.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0460 -2.6510 5.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -2.6130 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -3.1340 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -4.5230 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -4.7680 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -3.6060 3.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 0.0120 3.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.9690 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 1.1220 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 1.1620 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -1.6450 -5.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.8920 -4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 0.0630 -4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -3.8240 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -3.3340 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -2.5330 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 -0.8540 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -1.4390 2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -3.5730 3.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -2.9880 5.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 -5.0710 5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 -5.3720 3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -5.1540 4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0260 -1.5890 5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6310 -2.8020 6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0740 -3.0100 5.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -2.5950 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -5.2490 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -5.7340 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 0.2460 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -3.3950 4.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 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 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 31 54 1 0 0 0 0 M END