ASINEX-ZINC04511329 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.3580 1.7220 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.2480 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.2500 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -0.4530 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -1.4590 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -1.0210 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 0.1230 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -2.2130 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -0.9720 3.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.1650 5.1540 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -0.9390 6.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 1.2370 4.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.3440 5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -1.5640 6.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -1.7210 6.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -0.6610 6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 0.5540 5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 0.7250 5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 1.6220 5.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 1.2500 5.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 0.3450 6.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -0.8840 6.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 0.0830 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 2.3700 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 2.0140 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 1.9630 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -1.2000 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 0.4540 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.5040 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -2.4330 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -1.6270 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 0.9600 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 0.5090 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -0.2260 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -2.5720 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -1.9360 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -3.0560 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -1.8760 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -2.3900 6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -2.6620 6.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 1.6780 5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2730 2.1690 5.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 0.7580 4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 0.8210 7.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0030 0.1000 6.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 0.6780 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -0.9610 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 0.4080 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -0.6190 -0.2280 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.1880 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -1.4930 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 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 6 49 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 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 49 1 M END