OTAVA-ZINC01277227 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -1.2100 2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -0.1630 1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.6800 2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -1.2720 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -1.5780 -1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -1.7130 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -2.5000 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 -2.8410 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 -3.6220 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2590 -3.7920 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4970 -3.1770 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 -2.3400 -0.0680 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -1.0100 0.6500 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -0.2140 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 0.7400 2.4010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -1.7700 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.3300 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.3280 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -2.8620 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 -4.0580 -3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0090 -4.3800 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 -3.2100 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 M END