PUBCHEM-ZINC03873183 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 72 0 0 1 0 0 0 0 0999 V2000 0.0820 -0.1680 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -1.4440 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.9650 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -1.1580 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 0.1260 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 0.6250 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 0.6500 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -0.3360 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -1.4190 0.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 -2.2870 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 2.0060 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 2.9960 0.3340 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1220 2.6220 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 4.3740 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 4.6200 -1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 5.2910 0.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 6.7470 0.6910 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8450 6.9870 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 7.2450 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5460 6.8590 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 7.5230 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8820 7.2260 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 7.5140 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 6.7740 2.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 3.2490 1.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 3.6120 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 3.6250 3.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 4.1410 2.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0430 4.3440 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 3.1220 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 3.4010 4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 2.2540 4.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 2.4540 5.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 0.2080 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -2.0530 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.9650 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 1.6080 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 -0.3600 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 1.9070 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 2.3940 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 4.9560 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 8.3380 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 6.8520 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 5.7700 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 7.1740 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7690 8.6090 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 7.1750 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1170 6.1600 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5230 7.5930 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 3.1810 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 2.1290 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 3.0560 4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 4.3440 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 3.5070 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 1.3080 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 2.1620 5.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 3.3470 5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 2.5000 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1580 7.9330 -0.7410 N 0 3 0 0 0 0 0 0 0 0 0 0 11.8540 7.7630 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5610 7.6220 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0140 8.9500 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 8.7730 1.5880 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9210 1.2930 6.0950 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9100 1.3960 6.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 1.1920 6.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 0.4120 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 5.4460 3.4870 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0730 6.0150 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 6.0940 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 5.3690 4.3330 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 63 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 68 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 64 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 62 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64 67 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 68 71 1 0 0 0 0 M CHG 1 59 1 M CHG 1 63 -1 M CHG 1 64 1 M CHG 1 68 1 M END