PUBCHEM-ZINC05758499 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.1310 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -0.6610 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -0.2580 -2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -0.7880 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -0.3920 -3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 0.7530 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 1.1170 -5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6700 0.3370 -6.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8980 -0.8080 -6.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -1.1720 -4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 -2.2960 -4.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 -3.4430 -4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 -3.4420 -4.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -4.5920 -4.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -5.7910 -4.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 -1.6420 -7.3670 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3130 -1.3200 -8.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 -2.6520 -7.3340 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.6350 2.3430 -5.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.7560 3.0310 -4.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1940 2.6650 -6.1320 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9560 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -0.5540 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -1.7480 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -0.2380 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 0.8280 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -0.6810 -3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6940 -1.8750 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -0.3650 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2810 1.3630 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1660 0.6240 -7.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 -5.6620 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9370 -5.9680 -4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -6.6430 -4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 25 -1 M END