IFLAB-ZINC02684796 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 0.4470 1.2560 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.2350 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.0050 0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.7760 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -2.1610 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -2.7090 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -1.8870 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -0.5050 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 0.0490 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -2.5490 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -1.7650 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -2.7360 -0.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.0480 -3.5340 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5740 -2.0310 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0830 -2.4560 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5470 -1.7590 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0990 -1.4840 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9820 -3.6830 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3350 -3.2960 0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8450 -4.1000 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -3.3840 0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 -3.6780 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 1.4740 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 1.6610 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 1.7340 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -2.8250 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -3.7880 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 0.1770 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 1.1300 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 -1.0620 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 -1.2310 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6910 -1.1160 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6690 -1.8220 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9370 -0.8790 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4930 -2.4370 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5830 -1.4150 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1210 -1.1620 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6850 -1.9500 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5250 -0.5740 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9510 -4.4010 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6390 -4.1940 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6740 -2.9760 -0.2370 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.6810 -3.7660 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3010 -3.3840 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 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 21 22 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 42 1 M END