IFLAB-ZINC00952037 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.1880 1.9440 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 0.4650 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.5530 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -1.7440 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -1.4770 -0.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -0.0850 -1.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.4260 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -2.1780 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -3.1140 -4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -4.2970 -4.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -4.5470 -2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -3.6120 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -2.9750 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.3620 2.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1080 0.6980 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.1340 3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -0.5540 2.4720 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3850 -0.3510 3.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -0.2750 1.2880 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.8780 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 0.0090 3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -0.4610 4.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -1.8260 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -2.7140 3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -2.2390 3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -2.2910 4.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 -3.7070 5.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 2.3110 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 2.4650 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 2.1280 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -1.2540 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -2.9220 -5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -5.0280 -4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -5.4720 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -3.8060 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -3.3650 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.0700 4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.1790 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 1.0720 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 0.2330 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -3.7770 4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -2.9310 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -3.9430 5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -4.1750 4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -4.0850 5.7190 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 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 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 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 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END