IBS-ZINC00550712 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0040 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -0.5510 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 0.7290 -0.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 1.9580 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -1.9930 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -2.9560 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.1420 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -4.3200 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -2.7310 -0.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -5.5460 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -6.6910 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -6.6520 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -7.8790 -0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -9.0670 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -9.1620 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -10.3350 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -11.4160 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -11.3230 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -10.1540 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -12.5620 0.3520 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.9420 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -0.5990 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 3.0240 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -5.5760 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -7.9110 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -8.3200 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -10.4100 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -12.1670 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -10.0840 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 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 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M END