PUBCHEM-ZINC03727103 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.1660 1.3070 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -0.0960 0.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -0.6540 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 0.0750 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -0.5770 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -1.9630 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -2.7130 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.0610 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -2.8470 -0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6510 -2.2170 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -3.1770 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -2.5910 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -2.8660 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -3.7360 4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -4.3110 3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -4.0380 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -4.0310 5.8970 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -5.8440 5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -3.6350 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -4.8750 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -6.2200 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -5.0260 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -4.0820 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -4.7740 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 1.5680 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.8670 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.5850 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 1.1560 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -0.0010 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -2.4220 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -1.9010 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -2.3910 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -4.9640 4.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -4.5050 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -6.2290 5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -6.2500 5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -6.1820 6.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -3.0660 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -2.9920 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -5.3710 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -4.5610 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -6.8780 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -6.8150 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -5.3900 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -4.4720 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -4.6000 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 -4.5030 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -5.8450 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -4.0590 -0.9510 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9780 -4.5510 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -5.8430 -3.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -5.4480 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 49 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 49 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 51 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 49 1 M END