PUBCHEM-ZINC05964690 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 0.4070 1.1870 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -0.3140 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -1.0820 -0.7240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8920 -2.4970 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -2.4760 -0.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1100 -3.3030 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -1.1180 -0.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0100 -1.2760 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -0.4160 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -0.3610 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -1.5130 -2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -2.4680 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -3.4170 -3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.5770 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -5.2450 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -4.8010 -5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -3.6560 -5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -2.9570 -4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -1.7800 -4.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -1.2410 -4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -0.3770 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -0.4280 -1.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -0.3360 -3.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 -0.3540 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 1.0800 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 -1.0300 -4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 0.9260 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.9000 -3.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 2.1010 -2.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 3.3010 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 3.6580 -4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 4.4560 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -0.6200 -1.0220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4410 1.4980 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 1.6440 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.5020 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -2.9890 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -3.0000 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -0.9040 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 0.6080 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -4.9300 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -6.1450 -4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -5.3670 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -3.3200 -6.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -0.9090 -2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 1.6350 -4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5290 1.0660 -3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 1.5620 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 -2.0520 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3870 -1.0440 -5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8720 -0.4750 -5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 3.1240 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 3.8350 -3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 4.5590 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 2.8350 -4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 4.2020 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 5.3560 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 4.6330 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M CHG 1 3 1 M CHG 1 33 -1 M END