IFLAB-ZINC05251419 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 0.0080 1.4240 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.0410 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.6440 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.0520 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 1.4340 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 2.1200 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -0.6960 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -0.9310 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -1.6580 -1.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 -1.9780 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 -1.6650 -3.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -2.7190 -2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 -3.0330 -1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8800 -3.0400 -3.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1470 -3.6290 -3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -3.4240 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -4.0080 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6550 -4.7960 -3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7850 -5.0020 -4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 -4.4260 -4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 -4.6510 -6.0790 N 0 3 0 0 0 0 0 0 0 0 0 0 8.8980 -5.4210 -6.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 -4.0680 -6.1110 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9290 1.9590 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.5030 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.7240 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 1.9780 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 3.2000 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -0.1100 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -1.6550 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -1.5180 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 0.0280 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -1.9090 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -2.8610 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7270 -2.8080 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9570 -3.8480 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6340 -5.2520 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0860 -5.6190 -5.8010 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END