OTAVA-ZINC05551961 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 0.0290 1.1170 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.4110 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -0.8530 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -2.3810 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -2.8230 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5850 -2.3670 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -4.3240 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -4.9730 0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -2.4000 1.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -1.5840 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -1.1540 0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -1.2360 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -0.4290 2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 -0.3290 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 0.7760 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8760 0.8630 6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -0.1410 6.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -1.2380 6.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3930 -1.3420 5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0310 -0.0400 8.3120 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.6850 0.9240 8.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7610 -0.9210 9.1080 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1210 -2.1160 3.6930 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -2.8400 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -3.9000 2.6060 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 1.4320 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 1.5000 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 1.5080 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -0.8020 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.7940 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -0.4620 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -0.4700 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.7720 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.7640 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 0.1400 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6890 1.5610 3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4560 1.7150 6.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -2.0160 7.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -2.2010 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -4.9390 -1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -5.9030 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END