CHEMBRIDGE-ZINC04978054 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0490 1.6180 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.1350 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3490 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -1.7220 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5610 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -2.0670 -1.1970 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1920 -0.7560 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -2.9240 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -4.1860 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -4.9430 -3.8740 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -3.6080 -4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.7170 -3.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -3.5160 -4.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -4.6800 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -5.8260 -2.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -6.2800 -3.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -7.5530 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -8.0470 -4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -9.3170 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -10.1010 -4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -9.6170 -2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -8.3460 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -11.4640 -4.5160 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5510 -11.9270 -5.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 -12.2120 -3.5870 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8940 2.0220 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 1.7980 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 2.1060 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 0.3300 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -2.1280 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -3.6300 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -0.3880 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -4.2380 -5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -4.1410 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -5.7280 -3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -7.4350 -5.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -9.7000 -6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -10.2330 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -7.9670 -1.5760 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 6 1 M CHG 1 23 1 M CHG 1 25 -1 M END