PUBCHEM-ZINC06174047 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 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 -0.6980 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0640 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7690 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0720 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6800 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.9960 -2.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.7780 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.2770 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.1990 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -5.3270 0.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.4990 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.6440 -1.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -5.5590 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -5.6820 -3.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -7.9850 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -8.4730 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -9.8740 -2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 -10.3410 -3.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4520 -10.1500 -4.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -10.7210 -3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -11.2670 -2.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -11.7480 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -11.0140 -2.2080 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 0.0250 -0.1540 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.5970 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1300 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -7.3820 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -7.9540 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -8.6680 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -8.5050 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -7.7900 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -9.8420 -3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -10.5570 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -9.6280 -5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -10.7440 -4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -11.3160 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 20 1 M END