IBS-ZINC06624015 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0870 1.4820 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 0.0630 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -0.4810 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.8780 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -2.5640 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -1.8580 -3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -0.4570 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 0.2270 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -2.5870 -4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -2.8240 -5.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -3.4280 -6.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -4.7770 -6.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -5.6690 -6.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -4.9950 -8.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3240 -5.4560 -8.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -3.6250 -8.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -2.7210 -7.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -1.5070 -7.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -5.7850 -7.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 -6.0090 -9.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -6.8150 -9.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5710 -7.2830 -7.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 1.8890 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.9210 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 1.7530 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.4370 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -3.6510 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.1120 -3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 1.3120 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -2.0110 -4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -3.5420 -3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -3.4830 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -1.8740 -5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -3.3270 -9.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -5.2670 -7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -6.7550 -7.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -6.5360 -9.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -5.0430 -9.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 -6.9080 -10.0960 O 0 5 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 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 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 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 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 39 -1 M END