PUBCHEM-ZINC06076278 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 1.1450 2.0110 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.5440 -1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.3060 -3.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -1.6320 -2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -2.0680 -1.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -2.5770 -3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -3.9580 -3.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -4.6180 -3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -4.1240 -4.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -5.9940 -3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -6.8990 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -6.4890 -3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -7.3340 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -6.9420 -5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -5.7160 -5.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -4.8740 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -5.2540 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -5.3030 -5.7480 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8250 -6.0400 -6.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -4.2250 -5.4650 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2130 -6.1990 -2.3260 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -4.5630 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -3.8840 -2.1740 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 2.2400 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 2.1900 -3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 2.6500 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 0.3660 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 0.3160 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -2.4300 -4.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -2.3800 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -7.9210 -3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -8.2900 -5.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -7.5920 -6.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -3.9190 -3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -4.5990 -2.9500 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 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 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END