IBS-ZINC02128802 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.0700 1.8330 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.0390 0.3360 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -0.3870 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -1.9020 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -2.2960 -2.8370 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4360 -1.9060 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -3.8230 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -4.4820 -3.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -4.3910 -2.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -5.8150 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -6.2020 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -7.6970 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -8.1970 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -7.3540 0.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -1.7660 -4.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.1960 -5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -1.0840 -4.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.7060 -6.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -0.1290 -7.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 0.3230 -8.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 0.1990 -8.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -0.3770 -7.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -0.8290 -6.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -1.4140 -5.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -1.5130 -5.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -1.8960 -4.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -2.3980 -3.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 2.2520 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 2.0800 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 2.2800 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 0.0000 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 0.1080 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.2690 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -2.4100 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -3.8200 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -6.3350 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -6.0880 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 -5.6350 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -5.9180 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -8.2560 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -7.9680 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -0.0310 -7.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 0.7690 -9.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 0.5500 -9.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.4680 -7.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 -9.4240 -0.6010 O 0 5 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 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 46 -1 M END