PUBCHEM-ZINC04544024 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.6570 1.3420 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.0850 0.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5820 -0.7480 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -0.2230 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -0.0290 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -0.2940 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -0.2740 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -0.5030 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 -0.4660 3.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 -0.2490 4.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -0.0360 4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -0.0320 3.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 -0.6940 2.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6980 -0.8850 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -0.7740 0.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0090 -0.7290 3.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7260 -0.8190 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9740 0.4580 3.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9500 0.6700 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3280 -0.2150 3.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.1710 0.2880 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1150 -1.6270 2.9910 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.2750 -1.6590 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7180 -1.9520 3.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9570 -2.6930 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7170 -3.9580 3.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7440 -4.0290 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5710 -0.1940 4.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0020 0.5860 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7980 1.4300 4.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9540 -0.5260 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -0.5810 -0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 0.3270 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 1.4280 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 2.0620 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 1.6410 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 0.4910 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -1.2230 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -0.7130 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 0.9960 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -0.4930 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 0.1580 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5660 -1.0980 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6890 -2.8040 4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0250 -2.4720 3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -1.5320 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 0.1460 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 31 32 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 30 -1 M END