IBS-ZINC04888343 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0610 -0.5970 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.7280 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -2.0770 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -2.4170 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -3.5450 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -1.2910 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -0.1480 0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7730 0.4660 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 0.6760 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 2.0550 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 2.8120 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 2.1890 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 0.8100 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 0.0540 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 2.9980 4.7880 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2970 4.2130 4.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 2.4500 5.8520 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9920 -1.2190 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -1.2010 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 -1.1260 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 -1.1080 2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0400 -1.0330 2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5290 -1.0150 4.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 -1.0580 5.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.9690 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 2.5420 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 3.8890 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 0.3230 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -1.0230 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -0.3100 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 -2.0880 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 -2.1100 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 -0.3320 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3400 -0.2170 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4270 -1.9940 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 -2.0170 3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1010 -0.2390 3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3640 -0.1230 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4520 -1.9010 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -3.8920 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8450 -0.9510 4.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1110 -0.9420 5.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 27 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END