PUBCHEM-ZINC05793719 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -0.7120 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -0.1580 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 0.7900 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -1.1790 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -2.3570 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.0170 -0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1690 -2.9590 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -3.3020 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -4.4660 1.3820 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -4.6800 3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -5.4390 3.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -5.4980 4.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -6.2430 5.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -6.1760 7.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -5.3750 7.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -4.6390 7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -4.6950 5.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -3.8850 4.3700 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -3.6270 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -4.6860 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 -3.5990 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -2.4330 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -2.4510 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -1.2460 0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 -0.0090 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -4.8590 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -0.4780 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -3.8690 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.5070 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -2.3920 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -3.7550 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4870 -6.8700 5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -6.7510 7.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -5.3300 8.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -4.0160 7.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 0.3040 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 -0.1810 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 0.7720 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6050 -5.1770 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -4.7140 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 -5.6230 -0.4960 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 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 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 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 8 1 M END