OTAVA-ZINC05034696 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -1.3210 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -1.7990 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -1.4830 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -0.6880 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2140 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -2.0040 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 -3.3360 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 -3.5280 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -4.7940 2.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 -5.6800 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -4.9130 -0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -7.0520 1.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 -7.5510 2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -6.7990 3.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -9.0100 3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7120 -9.5290 4.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -10.8910 4.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 -11.7480 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -11.2360 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -9.8760 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -13.1320 3.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 -14.0960 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -15.2450 3.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -15.0720 4.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -13.8150 5.0180 N 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.5680 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -2.4200 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -0.4410 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 0.4040 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -1.2970 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -2.1230 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 -2.7150 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -7.6520 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -8.8630 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 -11.2920 5.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -11.9050 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 -9.4780 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -13.9460 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 M END