IFLAB-ZINC04106460 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8480 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.6790 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -4.0520 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.6060 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -3.7920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -2.4040 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -1.5290 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -0.2390 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 0.5930 0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 1.9680 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 2.8180 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 4.2060 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 4.7860 0.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1280 5.7380 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 3.7810 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2570 2.6270 0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 4.6610 0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 3.8270 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 2.5160 0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -2.2540 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -4.6950 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -5.6790 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -4.2280 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -1.9610 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 0.2050 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9300 3.9210 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 4.2300 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 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 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 M END