IBS-ZINC04567557 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.0430 0.8020 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 1.1400 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 0.6180 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.2520 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.5890 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -0.0600 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -0.8160 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -2.1370 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -2.3530 -0.1120 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 -0.6190 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 -0.0460 -0.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 -0.8140 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5580 -0.5560 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 -1.3340 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8710 -2.3690 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 -2.6310 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7680 -1.8570 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -0.0060 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 1.4510 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 2.0540 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 2.3820 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 2.9340 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 3.1370 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 2.8120 3.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 2.2900 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.2170 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 1.8130 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 0.8820 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -1.2620 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -0.3190 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -2.9100 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4220 0.2520 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4510 -1.1350 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7630 -2.9750 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0520 -3.4400 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0200 -2.0600 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 1.8440 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 1.7070 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 2.2120 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5450 3.2020 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 3.5660 4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 2.0420 1.6090 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 18 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 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 M END