PUBCHEM-ZINC04619117 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 1.0270 1.7430 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 0.2880 1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.5780 1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -1.9140 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.8110 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -4.1690 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -4.6360 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -3.7370 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -2.3800 1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -6.0120 1.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -6.8470 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -8.2320 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -9.0250 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -8.4540 -1.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -7.1360 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -6.3410 -0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -6.5780 -2.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -7.4030 -3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -8.6060 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -9.4260 -3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -9.0580 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -7.8510 -5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -7.0200 -4.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -7.4550 -6.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -6.4070 -6.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -8.3510 -7.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -10.5250 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -8.8360 1.7780 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3240 -9.1440 2.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -9.0260 1.5640 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1990 1.8940 2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 2.4040 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 1.9680 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.1380 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.0640 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -2.4480 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -4.8670 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -4.0990 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -1.6800 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -6.3810 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -5.6130 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -8.9010 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -10.3590 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -9.7020 -5.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -6.0840 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -8.4870 -7.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -7.8940 -8.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -9.3190 -7.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -10.9440 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -10.9310 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -10.7840 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 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 28 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END