IBS-ZINC04064606 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 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 0.0230 -0.7120 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0970 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.6980 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9910 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6550 -2.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -1.9420 -3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.6210 -3.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.1210 -4.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 1.3310 -4.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.5080 -5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -1.9080 -5.9020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3730 -2.4620 -6.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.5970 -4.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -3.9400 -4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -4.9850 -4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -6.3660 -4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -7.1430 -5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -8.3280 -5.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -9.0500 -6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -8.3420 -4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -7.1110 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -6.8400 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -7.7710 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -8.9850 -2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -9.2770 -3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -1.7950 -5.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -2.2710 -4.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.9080 2.4100 C 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 0.0250 -0.1960 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.6250 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 0.1060 -6.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -0.5870 -6.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -4.0740 -5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -4.0600 -4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -4.8510 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -4.8640 -5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -6.8730 -6.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -5.8970 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -7.5600 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -9.7110 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -10.2240 -3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -3.1180 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -3.8470 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -2.3470 3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -1.1650 -6.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -1.1170 -6.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 51 52 1 0 0 0 0 M END