PUBCHEM-ZINC00552370 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0610 -0.5970 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.7280 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -2.0770 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -2.4170 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -3.5450 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -1.2910 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -0.1480 0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7520 0.4480 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 0.7000 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 2.0780 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 2.8560 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 2.2560 -3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 0.8790 -3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.1010 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 3.0900 -4.6420 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4130 4.3030 -4.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 2.5620 -5.7100 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9920 -1.2190 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -1.2010 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 -1.1290 1.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6140 -1.1020 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 -1.1360 3.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 -1.0280 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.9690 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 2.5460 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 3.9320 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 0.4110 -4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -0.9750 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -0.3100 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 -2.0880 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 -2.1100 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 -0.3320 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4430 -1.1010 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5320 -2.0360 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4480 -0.5010 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4640 -0.4920 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -3.8920 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 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 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END