IBS-ZINC05032155 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 1.1830 0.1650 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -1.1440 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -2.8070 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -3.0340 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 -2.0600 0.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -0.6470 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -0.4310 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -2.4980 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5810 -2.1850 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 -1.5040 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 -1.2400 3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 -1.6640 3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 -2.3620 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 -2.6420 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4620 -3.3520 0.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -3.6490 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 -3.2570 -0.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2870 -4.4610 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 -4.8130 -2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 -5.5830 -3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 -6.0230 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1990 -5.6980 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6230 -4.9210 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4140 -4.6160 -0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5030 -6.0800 -2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1120 -6.8600 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 0.2410 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 0.2280 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 1.0310 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.9750 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -1.1850 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -3.0280 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -3.4270 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -2.9430 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -4.0640 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -0.2860 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -0.0260 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 0.6010 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -0.6570 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -1.1950 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -0.7150 4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 -1.4680 4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7170 -2.7060 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 -4.4860 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 -5.8390 -4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 -6.6190 -4.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8690 -4.0730 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1400 -7.0700 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1560 -6.3100 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5990 -7.8200 -3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -1.3500 0.2380 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8040 -1.1450 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 17 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 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 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 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END