IBS-ZINC02292511 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.6620 1.7980 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 0.3340 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -0.0400 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -1.3760 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -2.3540 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -2.0250 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.6650 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.2680 -3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -3.0460 -2.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -3.1040 -3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -3.5320 -4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -4.5410 -3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -4.1540 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -5.3160 -5.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -6.8240 -5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -7.4090 -4.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -7.5420 -6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -7.0480 -7.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -8.0880 -8.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -8.0200 -9.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -9.2410 -7.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -8.9400 -6.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -9.9790 -5.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -11.2630 -6.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -11.5250 -7.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -10.5180 -8.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -5.7130 -8.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.0840 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 2.0180 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 2.4260 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 0.7150 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.6570 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -3.3910 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.0210 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -1.0660 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 0.5950 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -2.1490 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.8340 -3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -2.7540 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -3.7710 -5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -5.4660 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -3.7420 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -5.0150 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -3.8960 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -5.0910 -6.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -4.7990 -5.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -9.7930 -4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -12.0620 -5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -12.5280 -7.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -10.7270 -9.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -5.3520 -8.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -5.7510 -9.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -4.9880 -8.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.7740 -4.4630 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0010 -5.5360 -4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 54 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 54 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END