IFLAB-ZINC04248453 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.2440 1.4050 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.0170 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -0.6680 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -1.9440 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -2.6130 0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -3.8970 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.0460 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -2.8850 -0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0380 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -0.6870 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -5.2370 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -5.0990 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -6.2840 1.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 -7.4210 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -7.5150 2.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -8.5900 2.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3320 -8.7960 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -9.8370 2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 -10.9850 2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8230 -10.8460 2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5030 -9.5310 2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 -8.3010 2.6940 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4250 -8.0240 3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 -7.1900 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 -6.6490 1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 1.4800 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 1.8130 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 2.0400 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -0.1120 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -2.4840 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -4.5750 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -0.2270 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -5.3840 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -6.1350 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -4.9150 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 -4.2580 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -6.2900 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -10.1700 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -9.5900 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -11.9610 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4590 -11.7160 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 -9.5870 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3040 -9.4300 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5140 -6.9210 2.6360 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 44 -1 M END