IFLAB-ZINC00952040 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.2060 1.9320 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 0.4500 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.5620 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -1.7560 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -1.4970 -0.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.1060 -1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -2.4510 -2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -2.2160 -3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -3.1570 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -4.3340 -4.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -4.5720 -2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -3.6310 -1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.9840 0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.3630 2.4900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0990 0.6990 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -1.1220 3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -0.5350 2.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3850 -0.3210 3.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -0.2610 1.2800 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2580 -0.8860 3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -2.2480 3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -2.7300 3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -1.8530 4.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -0.4870 4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -0.0050 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 0.3780 4.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 -0.1900 5.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 2.3060 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 2.4440 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 2.1160 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -1.2970 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -2.9750 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -5.0690 -4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -5.4920 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -3.8160 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -3.3810 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -1.0520 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -2.1690 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.9350 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -3.7940 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -2.2310 4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 1.0580 3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 0.6080 5.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -0.8520 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -0.7570 6.1400 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 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 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