IFLAB-ZINC04315045 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 0 0 0 0 0999 V2000 6.7830 1.9180 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 0.5800 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 -0.3320 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 0.0670 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 1.4350 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 2.3460 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9870 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 0.8930 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -0.2670 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -0.8600 -0.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -2.2460 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -2.8740 -0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -3.0900 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -4.5030 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -5.8560 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -6.9950 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -6.9290 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -5.5710 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -8.3390 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -8.8750 1.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -8.4420 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -10.1090 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -11.0730 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -12.2440 3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -12.4330 3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -11.4490 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -10.2690 2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -9.1690 2.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5800 2.6280 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.2400 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 -1.3550 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 3.4000 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 2.4550 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 2.7600 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 1.2790 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 0.5520 -2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 0.0450 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -1.0170 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -2.6500 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -3.2320 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -4.3020 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -3.7000 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -5.9780 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -5.8800 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -6.8510 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -7.1180 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -7.7140 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -5.5030 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -5.3820 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -10.9300 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -13.0240 3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -13.3530 4.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -11.5910 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -4.4820 0.0910 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 -4.6150 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 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 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END