OTAVA-ZINC05461256 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 0 0 0 0 0 0999 V2000 -0.0510 1.5250 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0040 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.4560 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4850 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.6050 2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.3350 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -0.4550 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -0.8510 4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -1.1230 4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.0050 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -1.2740 3.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -1.6790 4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -0.9790 5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.8580 5.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -0.5290 4.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -0.4070 4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 -0.0570 3.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 -0.6930 6.1530 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 1.9250 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.8920 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 1.8470 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -0.4030 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -0.0560 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -1.5450 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -0.0890 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -0.0300 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -0.2440 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.4290 5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -0.8920 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -2.5930 5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -1.8620 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -1.1740 6.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 0.1010 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 0.0330 3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7410 -0.4540 5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 17 34 1 0 0 0 0 18 35 1 0 0 0 0 M END