PUBCHEM-ZINC02684792 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.9780 -0.8670 -4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -2.1800 -4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -3.0230 -3.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -2.4530 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -3.6970 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 -3.9910 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -3.0490 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -1.8080 -2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -1.5100 -3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 -3.4620 -1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 -2.5020 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 -3.1790 -0.9390 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.1090 -3.5940 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6410 -2.2360 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2300 -2.5800 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4920 -2.2810 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3460 -1.2900 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2210 -3.7070 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4910 -4.1020 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3480 -3.0510 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3160 -5.4150 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2210 -4.3740 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9680 -4.2920 -1.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1820 -4.8000 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.8570 -5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.7430 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -0.0410 -4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -4.4490 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -4.9630 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -1.0450 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -0.5310 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 -1.6200 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6300 -2.2220 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4850 -1.5530 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8700 -1.6810 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8640 -1.4700 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3140 -3.1650 -2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5310 -1.9680 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3840 -0.9430 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9830 -1.4130 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7590 -0.4800 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2030 -3.4580 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9130 -4.6200 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2270 -2.7730 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7090 -3.4380 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7900 -2.1400 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7560 -6.2260 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5720 -5.7470 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2530 -5.2820 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6380 -3.4630 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4690 -4.7690 3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5830 -5.1150 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8230 -3.1200 -0.4080 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.6850 -3.9230 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6700 -3.5300 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 53 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 53 1 M END