PUBCHEM-ZINC00627077 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.0290 0.9350 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.5580 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -1.2530 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -2.6330 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -3.3220 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -2.6610 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -1.2670 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -3.3480 -1.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -4.5480 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -4.4390 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -4.0570 -4.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -2.8310 -4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -2.9650 -2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -4.7890 -5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -4.8720 -6.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -5.6420 -7.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -6.3610 -8.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -6.2830 -7.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -5.5090 -6.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -7.1940 -9.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -7.4040 -9.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -6.7830 -9.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 -8.5840 -10.7530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6770 -9.4670 -10.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -8.8230 -11.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -7.8920 -12.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -7.1620 -13.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -7.2460 -12.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -8.4560 -11.9590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1560 -9.3620 -12.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -8.4360 -11.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -8.3300 -10.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 1.4080 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 1.2640 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 1.2820 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -0.7270 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -3.1780 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -4.4030 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -0.7000 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -4.7110 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -5.4230 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.6800 -3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -5.4030 -4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -1.9940 -4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -2.5720 -4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -3.7510 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -2.0380 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -4.3670 -5.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -5.6740 -7.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -6.8240 -8.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -5.4650 -6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -7.7180 -9.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -9.8510 -11.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 -8.7290 -10.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -7.8060 -12.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -6.4820 -13.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -7.3120 -13.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -6.3120 -12.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -8.5350 -12.7300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 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 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 M CHG 1 59 -1 M END