IFLAB-ZINC00129847 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.3580 1.1890 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -0.2070 0.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 0.2440 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -0.2640 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -1.6410 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -2.5070 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -2.0090 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -2.7910 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -4.1890 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -2.1990 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 -2.4350 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -3.1380 -2.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8220 -4.4990 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -5.2160 -1.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2640 -5.0350 -2.2670 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.8300 -4.5610 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2950 -6.5590 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 -7.3590 -3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3280 -6.9770 -4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3140 -5.4670 -4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9800 -4.7230 -3.6020 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9990 -5.1310 -3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2450 -3.2490 -3.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7930 -2.4000 -3.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 1.3360 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 1.7080 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 1.6140 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 1.3200 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 0.4240 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -3.5730 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -4.6500 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -4.6330 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -4.4040 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 -3.1320 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -1.5210 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5250 -1.4820 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -3.0200 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 -2.6090 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -6.8150 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3370 -6.8710 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -7.2070 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 -8.4300 -3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7920 -7.4820 -5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3640 -7.3370 -4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 -5.1190 -4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 -5.2600 -5.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8910 -3.0560 -5.0350 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