PUBCHEM-ZINC03869729 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.2730 0.8940 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.4730 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -0.9380 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -0.0220 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 1.3340 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.8010 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 2.2130 -0.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -0.3840 0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -2.3550 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -2.7170 0.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -3.1300 -0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -4.7240 -0.3330 P 0 0 3 0 0 0 0 0 0 0 0 0 1.3900 -5.4620 -1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -5.1530 -0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -6.5410 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -6.7570 -0.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0820 -6.2710 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -8.2190 -0.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0330 -8.3460 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -8.4720 -1.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0190 -9.1210 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -7.0490 -1.7990 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6240 -6.9230 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -6.0850 -1.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -6.6760 -3.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -6.2290 -4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -5.9430 -5.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 -6.2450 -4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -6.6930 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5150 -7.0550 -3.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5690 -6.9460 -3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5930 -6.5360 -5.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4200 -6.1740 -5.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 -5.7510 -7.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -8.8790 -2.4850 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3010 -9.1500 -0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -9.4360 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.2520 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -1.1540 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.8610 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 1.6470 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -1.3670 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -6.8140 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -7.1160 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -6.1400 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5300 -7.2260 -3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 -5.4810 -7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3040 -5.7230 -7.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -4.9360 1.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -4.6300 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 14 15 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 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 46 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 47 1 0 0 0 0 34 48 1 0 0 0 0 36 37 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 35 -1 M END