IBS-ZINC02136906 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -4.7150 -1.2200 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 -0.1760 -2.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 1.1350 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 2.1400 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 1.7770 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 2.6060 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 0.4360 -0.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -0.5680 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -1.7190 -1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 0.0210 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 3.5970 -1.9210 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8240 4.2610 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 4.1580 -3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 4.8910 -3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 5.2450 -4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 5.9530 -5.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 6.1300 -6.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 5.6100 -7.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 4.9070 -6.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 4.7380 -5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 4.1040 -4.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 3.6720 -4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 6.8300 -7.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2030 7.0210 -8.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 5.1910 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 5.0230 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 1.4860 -2.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -1.8420 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -1.8500 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 -0.8030 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -0.6510 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.5300 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.8730 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 6.3630 -4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 5.7360 -8.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 4.5080 -7.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 7.5810 -9.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 7.6160 -9.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 6.0630 -9.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 6.2110 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0810 4.5040 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 5.8130 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 5.0010 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 2.0230 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 3.7140 -0.8510 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4000 2.9510 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 3.5470 0.0770 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 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 27 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 44 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 31 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 13 1 0 0 0 0 11 45 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 45 1 M END