IFLAB-ZINC04393218 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.9920 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.6020 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1610 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -2.5030 -4.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1580 -3.5320 -4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 -2.4600 -4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -1.6620 -5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -1.3110 -6.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -1.7480 -5.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -1.4640 -6.2920 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -1.3360 -7.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -2.4180 -5.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 0.1150 -5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 1.2530 -6.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 2.4920 -5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 2.5930 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.4550 -4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 0.2160 -4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 -1.3370 -5.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -0.6180 -6.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -0.4470 -6.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -1.0080 -5.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -1.8080 -4.7750 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.5910 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.6800 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.1420 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.2380 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 -1.9550 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -3.4670 -4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.1740 -7.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 3.3800 -6.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 3.5610 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 1.5340 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -0.6730 -4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -0.2170 -7.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1560 0.1020 -7.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4560 -0.9720 -5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 M END