PUBCHEM-ZINC06022695 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 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 0.0200 -0.6160 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7310 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1320 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8070 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.1010 -3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.7010 -3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0240 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.7770 -4.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -2.4160 -5.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -3.1440 -7.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -2.7620 -8.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -3.4480 -9.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -4.5170 -9.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -4.9060 -8.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.2240 -7.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -6.0490 -8.7120 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9440 -6.6460 -9.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -6.3920 -7.8270 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6260 -3.0360 -10.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -2.0120 -11.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -2.4180 -12.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -1.4780 -13.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -0.1320 -12.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 0.2740 -11.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.6650 -11.0060 C 0 0 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 0.0360 -2.6780 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.8870 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.1560 -4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 1.0550 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -1.5830 -5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -1.9300 -7.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -5.0500 -10.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -3.9080 -11.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -2.6060 -9.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -3.4690 -12.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -1.7960 -14.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 0.6020 -13.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 1.3250 -11.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -0.3480 -10.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -4.6010 -6.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -5.2640 -5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 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 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 35 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 45 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 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END