IFLAB-ZINC04120652 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.2050 -0.5800 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 0.4430 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -0.2340 1.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 0.5340 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 1.9130 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 2.6940 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 2.1090 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 0.7410 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -0.0620 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -1.5270 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -2.2480 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 -2.0680 0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 -1.3240 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5290 -2.4350 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -3.6760 0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -3.4090 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -4.6550 0.2470 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -6.1340 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -7.3590 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -7.8510 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -8.9760 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -9.6080 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -9.1170 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -7.9950 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -9.7950 -2.0290 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2190 -10.7850 -2.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -9.3620 -3.0840 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5490 -0.0640 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -1.1370 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -1.2700 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 1.1330 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 1.0000 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 2.3770 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 3.7670 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 2.7280 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 0.2890 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 -0.6540 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -0.7680 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0860 -2.3150 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2050 -2.4290 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 -6.0830 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 -6.1880 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -7.3570 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -9.3590 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -10.4870 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -7.6140 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END