IFLAB-ZINC05153222 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.0270 1.7950 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 0.4150 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.4300 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.1000 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 1.4940 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 2.3330 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 2.0990 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 1.1030 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -0.8350 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 -1.0520 -0.5050 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6570 -0.3520 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -2.0180 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -1.4180 -3.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -0.3260 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 0.2690 -2.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 0.1040 -4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 0.7210 -5.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 1.1340 -6.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 0.9360 -7.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3940 0.3390 -6.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -0.0720 -5.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 1.3580 -8.9290 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3220 1.8420 -9.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 1.2020 -9.5220 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3410 -1.7440 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 -1.2770 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -2.1710 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7120 -3.3020 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -3.2870 1.2320 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 2.4530 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -0.0020 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -1.5060 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 3.4140 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 2.4960 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 2.9420 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 1.5250 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 0.8310 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -1.2390 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -1.6440 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 -2.7760 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -2.5510 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -1.8820 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.8740 -4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 1.6010 -7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3200 0.1910 -7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2170 -0.5050 -5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 -0.3300 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 -1.9940 3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 -4.1420 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -0.1620 -0.2990 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3650 0.1400 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 50 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 50 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 50 1 M END