IFLAB-ZINC05258566 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 -0.0120 1.0810 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 1.0070 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 3.0220 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 3.4760 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 5.4160 3.5150 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4580 4.7360 3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 6.8180 3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 6.7510 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 5.6880 1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 7.8740 1.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 7.8290 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 6.7050 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 6.6630 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6790 7.7400 -2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 8.8610 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 8.9110 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 10.3220 -0.2310 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.5140 5.4650 -1.6060 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5460 4.5160 -0.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1390 5.4270 -2.6510 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8570 5.4610 4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 5.1340 4.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0090 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 1.4560 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.4430 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 1.3240 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -0.0810 2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 1.3740 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 3.4050 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 3.4060 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 3.0920 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 3.0930 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 7.2040 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 7.4780 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 8.7130 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 5.8630 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2340 7.7040 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 9.7000 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 1.5540 1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 4.9440 2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 5.3260 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 5.8660 5.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 5.8780 6.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 39 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 39 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 40 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 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END