IBS-ZINC05163007 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0300 1.4320 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.0030 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -0.6310 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 0.1150 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5140 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -1.9080 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -2.6720 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0160 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -3.9870 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -4.1900 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -5.3920 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -6.6310 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -6.5840 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -7.7500 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -8.9670 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -9.0230 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -7.8650 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -10.3290 -0.4440 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9180 -11.3530 -0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -10.3800 -0.4320 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7720 -2.8690 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 -2.6250 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.8110 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 1.7810 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.7930 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 1.1940 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.0660 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.5860 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -5.4380 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -5.6350 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -7.7150 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -9.8770 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 -7.9110 -0.1930 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 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 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END