IFLAB-ZINC00151366 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 1.0940 1.5210 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 0.0570 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -0.4000 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -1.7670 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -2.6530 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -4.0620 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -4.8970 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -4.3020 -2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -2.9170 -2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -2.0850 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -0.7680 -1.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -6.3950 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -6.8480 0.0770 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2240 -2.2560 2.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -1.8130 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -2.1200 4.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -1.6730 5.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.8990 6.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.5980 5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -1.0380 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.4620 7.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -0.7970 8.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 0.3460 7.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 1.9010 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 1.7120 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 2.0720 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 0.3090 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -4.5410 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -4.9190 -3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -2.4780 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -3.0750 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -2.7090 4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -1.9510 6.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -0.0110 5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -0.7900 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -1.8820 8.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -0.3830 9.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.3890 8.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 1.2860 7.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 0.6130 8.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -0.2010 7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -7.0820 -2.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 42 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 13 -1 M END