IBS-ZINC04981083 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 1.3040 -0.2650 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -1.1400 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -1.2110 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -2.3330 0.3900 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.6770 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -1.9980 -1.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -3.6850 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -0.5250 2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 0.8070 1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -1.1260 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -0.3840 4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -1.3370 5.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -1.0360 6.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.5550 5.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -2.5330 3.5490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0020 -3.2340 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -2.9230 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -2.2650 3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -2.6840 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -3.7540 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -4.4180 1.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -3.9840 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -3.7610 5.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -4.7290 5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -5.9630 6.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -8.3420 6.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -6.5660 7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 0.8030 4.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.4350 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -0.4670 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.7880 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -3.3940 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -3.7790 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -4.6690 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -1.4290 4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.1870 3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -4.1170 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -4.5410 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -4.2370 5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -3.4700 6.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -4.2100 6.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -5.0310 4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -6.4490 6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -5.7200 7.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -8.2730 7.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -8.6430 6.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -9.0450 6.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -5.6560 6.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -6.4020 8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -7.3660 6.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 1.1970 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -6.9800 6.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2440 -7.0840 5.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 28 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 52 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 52 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END