IBS-ZINC04813112 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 0 0 0 0 0 0999 V2000 0.4670 1.5060 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 0.0480 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.6780 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.1520 2.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -2.1490 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.8990 2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -4.2710 2.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -5.0240 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -6.5260 3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -7.3240 4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -9.5690 5.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -9.4110 3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.7880 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -4.0040 -0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -1.9080 -1.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.5350 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 0.2650 -2.7360 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.8690 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 1.9490 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.8410 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -2.4230 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -4.7680 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.7680 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -4.7500 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -6.7620 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -6.7960 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -7.0440 5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -7.1630 4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -9.4450 6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -9.1610 6.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -10.6220 5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -8.9530 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -9.2260 3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -10.4840 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -2.3340 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -8.8140 4.2100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6140 -8.9480 3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 36 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 36 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 36 1 M END