PUBCHEM-ZINC02872408 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0810 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0680 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5330 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -4.9310 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -6.4500 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -6.7720 -3.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -8.3000 -3.9100 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -8.3000 -5.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -8.6510 -3.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -9.3860 -3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -9.6430 -4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -10.4950 -3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -11.0890 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -10.8320 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -9.9840 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -12.0000 -1.8060 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7860 -12.2260 -2.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -12.5240 -0.7140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1630 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6240 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6010 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -4.5220 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -4.4980 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -6.8600 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -6.8840 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -6.0900 -4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -9.1790 -5.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -10.6960 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -11.2960 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -9.7860 -1.4690 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 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