IFLAB-ZINC05267798 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4100 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 1.2950 -0.3760 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 0.7310 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -1.7950 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -2.2480 -1.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -2.0550 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -2.4860 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -3.1120 -3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -3.2710 -3.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -2.8520 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -3.0140 -1.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -3.6780 -5.6150 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -4.3570 -5.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -4.9150 -7.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -4.8590 -8.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -5.4770 -7.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -6.0190 -9.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -6.0150 -9.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -6.5820 -10.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -8.0150 -10.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -8.0190 -10.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -7.4530 -9.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -2.3420 -4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -1.2890 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 -1.6080 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -1.3560 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 2.0410 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6590 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 2.8430 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -1.8390 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -2.4400 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -5.1520 -5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -3.5680 -5.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -5.5220 -7.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -5.4040 -9.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -6.6300 -8.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -4.9940 -9.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -6.5790 -11.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -5.9670 -11.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -8.6300 -10.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -8.4190 -11.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -9.0400 -10.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -7.4040 -11.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -7.4560 -8.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -8.0680 -8.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 -3.3000 -4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -2.0430 -5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 -1.3150 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 -0.3000 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 -2.6530 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.9640 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -0.2840 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.7290 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 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 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 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 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 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END