PUBCHEM-ZINC00690219 MOE2007 3D CORINA 3.40 0006 02.08.2006 75 79 0 0 0 0 0 0 0 0999 V2000 1.2600 0.7300 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.1770 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -0.9900 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -0.9030 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 0.0100 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 0.8210 2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -1.7600 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -2.3950 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -1.9600 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -0.6430 -4.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 0.4180 -3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 0.0260 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 -0.4960 -5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 -1.4510 -5.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 0.9010 -5.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9680 0.9600 -6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 0.9600 -7.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4960 1.0870 -8.2340 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 1.1380 -6.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 1.0670 -5.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4730 1.2460 -6.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5080 1.3770 -7.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4090 1.4480 -8.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8650 1.5120 -6.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9210 0.8960 -7.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6390 1.7360 -8.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1150 2.0090 -8.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1350 3.1200 -7.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1140 -0.4790 -7.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4760 -1.1410 -6.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1370 -1.1600 -8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5050 -2.3940 -8.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5200 -3.1530 -9.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7570 -3.5350 -8.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3840 -2.3210 -8.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3670 -1.5620 -7.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 1.3610 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -0.2520 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -1.6980 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 0.1010 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 1.5240 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 -1.7730 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -2.7920 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -3.3210 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 -2.5260 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -2.7200 -4.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -1.8810 -4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 1.3660 -3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 0.5710 -3.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 -0.0690 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 0.7660 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 1.5780 -5.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1490 1.2420 -4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 0.8920 -8.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6650 1.2200 -5.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0580 2.5760 -6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 1.0340 -5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2620 1.6190 -9.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6270 1.6460 -7.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7210 2.0130 -9.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0720 3.8820 -8.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0270 3.5020 -6.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4520 -0.4920 -8.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0990 -3.0720 -8.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6570 -2.0880 -9.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0550 -4.0560 -10.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8190 -2.5310 -10.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4800 -4.2750 -8.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4940 -4.0120 -9.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2220 -2.6430 -7.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7980 -1.6480 -8.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8420 -0.6750 -6.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0630 -2.1900 -6.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -1.3270 -1.7000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9260 -1.2300 -2.0130 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 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 7 74 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 8 74 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 12 74 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 74 75 1 0 0 0 0 M CHG 1 74 1 M END