PUBCHEM-ZINC00238589 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.5920 0.9940 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.3540 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.9190 0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -1.7800 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -3.2240 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -0.6070 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 0.1060 0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -1.1470 2.4360 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3400 -2.1500 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -0.2060 3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -0.6660 4.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -0.8080 4.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -1.2610 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 -1.9920 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 -2.8000 4.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -4.1770 4.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 -4.9290 5.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 -4.2990 6.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 -2.9290 6.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -2.1860 5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -5.0810 7.2310 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7670 -6.2910 7.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 -4.4850 7.9980 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1560 1.7150 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 1.3990 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 0.9060 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -1.0590 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.2310 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -1.7440 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -1.3930 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -3.3090 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -3.6290 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -3.8490 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 0.8150 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -0.1440 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 0.0520 5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -1.6260 5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 0.1530 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -1.2360 5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -1.9940 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -0.3040 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 -1.0130 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 -2.5350 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -4.6840 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -5.9940 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3220 -2.4260 6.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 -1.1200 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -1.7450 3.4100 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5340 -2.6560 3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 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 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 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 38 1 0 0 0 0 12 39 1 0 0 0 0 12 48 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 48 1 M END