PUBCHEM-ZINC05680898 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -4.1000 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -4.8670 1.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -6.1140 0.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -6.5430 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -5.1310 -1.4250 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -7.8690 -0.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -9.0790 0.3600 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -10.3030 -0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -8.7430 1.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -8.9960 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -9.7100 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5660 -9.6440 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6590 -8.8640 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -8.1510 3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -8.2200 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9360 -8.7930 3.3900 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.9040 -9.4220 3.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0180 -8.1060 4.3920 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.2420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -2.2320 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -8.0880 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -10.3200 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 -10.2020 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 -7.5410 3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -7.6650 2.7350 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 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 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 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 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 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END