IBS-ZINC02213486 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 0 0 0 0 0 0999 V2000 -0.1270 1.5570 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 0.0490 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -0.4630 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.3140 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.0610 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -0.9950 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -0.6700 4.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 0.5710 4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 1.2930 5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 2.4890 5.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 3.4410 6.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 3.1200 7.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 1.9340 7.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 0.9760 6.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 4.6430 6.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 5.5740 8.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 6.8270 7.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 8.7440 9.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 8.3620 9.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 2.5510 4.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.3850 4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 1.1410 3.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -1.6600 4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -2.6850 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -3.2480 3.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -2.3130 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -3.8520 4.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -2.0850 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 2.1080 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 1.7920 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 1.9330 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -0.4400 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -0.0030 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -1.5490 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -0.2370 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -1.3600 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 0.2670 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 1.7290 8.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 4.8250 6.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 5.8690 7.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 5.0840 9.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 6.5300 7.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 7.4390 7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 9.4010 8.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 8.2190 9.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 9.3040 10.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 7.5770 9.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 8.9620 8.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 8.9880 10.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -2.1760 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.1370 5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -2.1380 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -2.8230 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -3.5170 4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -4.6180 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -4.3480 5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -1.2130 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -2.8190 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -1.7700 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 7.7120 9.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3600 7.1100 10.0530 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 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 22 2 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 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 20 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 60 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 60 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 60 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END