PUBCHEM-ZINC03872384 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 -0.0600 1.6520 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 0.1910 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.2320 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -1.5700 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -2.5100 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -2.1110 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.7610 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -0.3740 -2.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4710 0.7090 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -0.9990 -2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -0.4680 -2.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -0.5700 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 0.0220 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -0.0900 -2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 -0.7290 -3.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -1.2670 -3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 -1.2280 -3.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1190 0.5960 -1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 1.0750 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 0.7370 -0.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 0.7810 -1.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.9730 -0.0820 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0890 2.0810 -1.8100 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.2270 1.8750 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4770 2.1460 -1.1460 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.2020 1.5710 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3020 1.4830 0.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.1240 0.7800 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0910 0.6860 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1990 2.4370 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1120 1.6740 2.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4300 0.9980 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9250 3.4960 -1.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0500 3.9530 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 3.1810 -1.4520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8170 -0.6300 -3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 0.3310 -3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 0.1430 -4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -1.0310 -5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -2.0080 -5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.8020 -4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -3.2050 -5.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -3.5090 -6.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 1.1740 -4.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 1.0590 -5.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 2.0840 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 1.7880 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 2.2220 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 0.4870 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -1.8770 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -3.5550 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.8710 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -0.7590 -3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -2.0920 -2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -0.0060 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -1.8030 -4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 1.6710 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3020 3.0600 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0800 3.0800 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 1.2470 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 -1.1840 -6.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -2.5860 -4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -3.5430 -6.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -4.5040 -7.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -2.7990 -7.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 0.2060 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 0.9970 -6.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 1.9660 -5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 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 49 1 0 0 0 0 4 5 1 0 0 0 0 4 50 1 0 0 0 0 5 6 2 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 10 11 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 57 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 37 60 1 0 0 0 0 38 39 1 0 0 0 0 38 44 1 0 0 0 0 39 40 2 0 0 0 0 39 61 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 62 1 0 0 0 0 42 43 1 0 0 0 0 43 63 1 0 0 0 0 43 64 1 0 0 0 0 43 65 1 0 0 0 0 44 45 1 0 0 0 0 45 66 1 0 0 0 0 45 67 1 0 0 0 0 45 68 1 0 0 0 0 M CHG 1 35 -1 M END