IFLAB-ZINC04376052 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 0.0000 1.4940 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.0130 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.7080 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.1130 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.7570 2.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7380 -0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.1000 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -4.7490 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -4.0240 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.6620 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -2.0030 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.6730 -1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0210 2.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -0.2170 3.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -1.0510 3.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 0.5820 4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 0.3820 5.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.1310 6.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 2.0790 6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 2.2820 5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 1.5360 4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 2.8790 8.1210 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0960 2.7020 8.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 3.7140 8.3470 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0240 1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8540 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.8510 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.6670 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -5.8290 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -4.5420 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0930 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 0.5940 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -0.3570 5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 0.9770 7.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 3.0240 6.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.6930 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 32 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 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 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 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END