PUBCHEM-ZINC02931735 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -3.0440 1.4550 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 0.0230 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -0.5130 1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.5570 -0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -1.9050 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -2.8810 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -4.2200 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -4.5640 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -3.5730 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -2.2330 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -4.0100 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -5.1090 -1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -3.1320 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -3.2560 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -4.3530 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -4.4190 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.3900 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 -2.2910 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -2.2050 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -0.9980 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -0.9830 0.9910 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4610 -5.3120 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -6.2730 0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -5.1350 -0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -5.9680 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -7.1480 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0290 -7.9260 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 -7.5340 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1750 -6.3590 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0200 -5.5600 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 -4.2850 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -3.6020 -1.6620 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3830 1.9250 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 1.9930 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 1.5040 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -2.5820 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -5.6100 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -1.4430 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -2.2390 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -5.1740 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -5.2770 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5100 -3.4410 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 -1.4890 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -4.3000 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -7.4860 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0290 -8.8400 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0790 -8.1390 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0790 -6.0560 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -0.1010 1.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 -3.9890 -2.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 49 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 50 2 0 0 0 0 M CHG 1 21 -1 M CHG 1 32 -1 M END