IFLAB-ZINC00129844 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.3000 1.0630 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.3310 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.7310 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 0.1410 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -0.3550 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -1.7290 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -2.6050 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -2.1190 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -2.9100 -0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -4.3070 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 -2.2730 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 -2.4790 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 -3.1470 -2.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -4.5070 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 -5.2650 -2.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4270 -4.9830 -2.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0120 -4.4170 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4980 -6.4710 -2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9010 -7.0450 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4210 -6.8620 -3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4070 -5.3930 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 -4.7390 -3.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3370 -5.1660 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2400 -3.2550 -4.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8890 -2.4060 -3.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 1.1990 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.5890 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.4880 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 1.2160 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 0.3410 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -3.6690 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -4.7750 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -4.7460 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -4.5170 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -3.2150 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -1.5960 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -1.5180 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -3.0790 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 -2.5980 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 -7.0560 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1550 -6.6000 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8900 -8.1100 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5730 -6.5510 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8070 -7.4420 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4420 -7.2530 -3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7520 -5.3230 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1440 -4.8490 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7010 -3.0560 -5.4330 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 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 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 M CHG 1 48 -1 M END