PUBCHEM-ZINC03870219 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 39 0 0 1 0 0 0 0 0999 V2000 0.0160 1.5080 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 0.0180 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.3750 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 0.4410 0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -1.7380 0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -2.4110 0.3580 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8320 -1.8630 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -2.6010 1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -1.2640 2.3130 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -1.7740 4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -1.6220 4.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -3.8010 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -4.3520 -0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -4.3800 -0.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -5.7070 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -6.1020 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -5.2380 -1.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 1.8940 -0.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0430 1.2540 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 3.3760 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 3.9030 0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.7590 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 2.1070 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -0.5770 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.2540 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -2.3530 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -3.5350 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -2.6540 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -1.1410 4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 -2.8160 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -1.7860 5.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -3.9280 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -5.6960 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -6.4310 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -7.2180 -2.4870 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2120 3.8140 -1.6070 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1490 1.7230 1.1940 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9150 1.0450 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 1.6340 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 2.7010 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 -1 M CHG 1 37 1 M END