IFLAB-ZINC04139273 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.8610 3.9780 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 4.4780 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 5.4530 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 5.9760 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 5.5340 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 4.5540 -4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 4.0130 -4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 2.9510 -4.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 3.1020 -6.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 1.7670 -4.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 0.6200 -4.9300 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5150 0.9890 -5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4730 -3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.0230 -6.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4930 -0.8240 -6.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -0.5510 -6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -1.8730 -6.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -2.0870 -5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -0.9250 -5.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 0.4110 -5.5000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 0.7150 -8.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.7700 -9.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 1.8080 -10.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 2.1640 -9.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 1.1250 -7.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 3.0520 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 3.8030 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 4.7160 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 5.8240 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 6.7360 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 5.9490 -4.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 4.2080 -5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 1.6840 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -1.3250 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -0.0830 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.8340 -3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -2.6610 -6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 -3.0460 -5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -0.7980 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 0.7470 -8.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -0.2860 -8.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 1.5240 -10.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 2.7650 -9.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 2.2070 -9.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 3.1660 -8.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.1330 -8.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 1.4250 -7.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0030 -7.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2630 1.9500 -7.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 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 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END