PUBCHEM-ZINC03606278 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.7950 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 2.2560 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 2.4880 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 2.2560 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.8230 -2.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6970 2.9880 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 3.1460 -5.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 3.6650 -7.2020 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 2.8080 -7.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.4980 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 4.1540 -1.8350 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5010 3.2600 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 5.2990 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 4.8650 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 5.0750 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 4.6780 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 4.0690 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 3.8600 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 4.2640 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 3.6780 4.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 4.5430 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 4.5880 -4.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.5530 -0.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 2.4340 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 2.2690 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 3.9480 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 2.3300 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 1.8120 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 6.1660 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 5.5600 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 5.5490 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 4.8420 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2840 3.3860 3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8570 4.1050 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 4.3550 5.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.6720 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 5.1850 -7.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 3.5950 -8.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 3.8820 -1.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 4.0820 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 4.8380 -3.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 5.0820 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 3.8940 -9.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 5.8040 -6.7550 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 44 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 42 49 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 7 1 M CHG 1 25 -1 M END