PUBCHEM-ZINC04057397 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 -0.4540 1.2380 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.2170 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -1.1210 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -2.4810 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.9630 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.0820 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.7060 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 0.1360 -2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.0140 -4.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.0390 -4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 1.7770 -4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 1.2000 -2.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 2.9720 -4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 1.2120 -6.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 1.3810 -5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 0.5620 -6.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 -0.0390 -7.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -0.8580 -7.8610 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9280 -1.7450 -7.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -0.0380 -7.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -1.3320 -9.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -0.8900 -10.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 -2.2840 -9.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -2.8450 -10.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 -2.2170 -11.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 -0.9170 -11.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -0.3610 -12.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 -1.1290 -12.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2220 -2.3850 -11.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0560 -2.8980 -11.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 1.5220 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 1.8710 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 1.4480 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -0.7660 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -3.1630 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -4.0220 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -2.4820 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 3.7900 -3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 2.7560 -4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 3.3140 -5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 2.2620 -6.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 0.7360 -6.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 2.2420 -6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 1.7270 -4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -0.2430 -5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 1.1960 -5.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -0.6630 -7.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 0.7650 -8.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -0.6690 -8.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 0.8160 -8.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -2.6120 -8.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -2.7180 -11.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 -3.9220 -10.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 -0.3370 -11.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 0.6420 -12.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1230 -0.7430 -12.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1350 -3.9100 -10.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 0.5170 -6.3970 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5080 -0.2700 -5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 58 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 58 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 30 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END