PUBCHEM-ZINC03738123 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.4830 1.4740 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 0.0250 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.4300 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -1.8860 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 -2.3480 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -3.7120 0.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -4.3300 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 -5.6700 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -6.4260 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -5.8540 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -4.5030 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 -3.7490 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7470 -6.6800 -0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5250 -7.7320 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4070 -6.6320 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7650 -6.5210 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9670 -6.5440 -3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1020 -6.4620 -3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9310 -6.5240 -5.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6660 -6.6640 -5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5270 -6.7470 -5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7080 -6.6840 -3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 -6.7410 -2.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -6.8460 -2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3130 -6.4260 -6.3020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -10.7470 -6.3950 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1260 -6.8600 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 1.7780 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 1.6130 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 2.1400 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -0.6100 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.0860 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 0.2110 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.3130 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.5370 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -2.0170 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -1.7290 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -2.2630 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -6.1290 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 -7.4660 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -4.0180 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -2.7120 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0930 -6.3530 -3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5530 -6.7110 -6.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5410 -6.8570 -5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0510 -5.3440 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6480 -6.9830 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7300 -6.5390 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0020 -7.9480 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7520 -6.2610 0.9730 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3760 -6.5020 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 -5.2370 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 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 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END