PUBCHEM-ZINC00454061 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 0.1950 0.1900 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -1.0810 0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -1.2340 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -2.4970 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -2.7900 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.8170 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -0.5500 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -0.2600 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -2.1180 5.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -2.0410 5.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -1.0250 5.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -3.2030 4.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 -3.4860 4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0260 -2.6070 4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 -2.9750 4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 -4.2210 4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 -5.1020 3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 -4.7360 4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0620 -4.4520 4.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4680 -5.7240 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0020 -5.7830 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5530 -5.4020 2.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 0.4240 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.1470 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 0.9750 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -3.2610 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -3.7800 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 0.2240 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 0.7350 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -1.4030 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -3.1110 5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -3.9420 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 -1.6270 5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1520 -2.2800 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -6.0810 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -5.4490 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0870 -6.5360 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 -5.8480 2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5310 -6.2450 4.6730 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 39 -1 M END