PUBCHEM-ZINC06190726 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 1.5060 -1.3060 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -0.4300 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -0.5890 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -0.7010 1.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1270 -0.1030 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.2840 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -1.1130 1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 1.0780 1.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 1.7440 2.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5220 1.1000 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 1.9990 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 0.7110 4.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 2.6590 4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.1220 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 3.7080 1.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.1070 1.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -2.6240 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -1.9530 2.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -4.1160 2.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4480 -4.2660 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -4.9480 0.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2400 -4.6640 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -6.4310 1.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4230 -6.7630 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -6.7000 2.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5870 -6.4350 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -5.8880 3.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7660 -6.1420 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -4.4930 3.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -6.3770 4.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -7.7810 3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -8.0130 2.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -8.6090 4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -8.1620 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -6.9900 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -6.0970 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.8840 0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -6.7640 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -5.7480 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -2.3680 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -1.0370 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -1.1750 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.6150 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -1.6290 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 0.0290 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.2740 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 1.7390 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 2.6770 3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -0.0400 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 0.9110 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 0.2810 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 3.6670 3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 2.7590 5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8910 2.0670 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -2.7130 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -8.4390 5.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -9.6770 4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -8.3330 5.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 -7.5540 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -9.2100 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -7.9900 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -7.7070 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -6.1050 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -6.9980 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -5.2780 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -5.0380 -2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -6.6440 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 3.4740 0.9640 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 2 0 0 0 0 14 68 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 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 32 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 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 M CHG 1 68 -1 M END