IBS-ZINC01867823 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.8450 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5720 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -2.4270 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -3.8160 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -4.3550 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 -3.5180 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 -2.1290 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -1.5900 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 -4.0570 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 -3.5850 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9250 -4.1650 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9010 -3.6630 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1650 -4.2110 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4740 -5.2590 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5210 -5.7650 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2450 -5.2230 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1970 -3.6790 2.6520 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.9280 -2.7590 3.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3150 -4.1620 2.6570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -4.4620 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -5.4280 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 -1.4820 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -0.5180 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 -2.7680 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6640 -2.8460 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4680 -5.6830 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7700 -6.5820 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3090 -5.7160 -0.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 -6.4390 -0.4820 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 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END