PUBCHEM-ZINC00969086 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -2.6270 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4530 -2.8560 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 -3.5350 -1.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 -3.8420 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -3.5550 -3.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6950 -4.5400 -2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2460 -4.8110 -4.2500 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.7830 -5.6190 -3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5980 -6.0340 -5.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8120 -6.6730 -4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3970 -6.9660 -5.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2490 -7.4100 -6.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5600 -6.5180 -6.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5060 -5.9720 -6.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1440 -6.8600 -3.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3490 -6.4540 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1960 -5.8540 -2.7070 N 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 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -3.5870 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -2.0100 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -1.8960 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -3.4730 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 -3.7650 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5990 -5.5000 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4240 -3.9230 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7460 -6.6040 -7.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6490 -6.6220 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 M END