IFLAB-ZINC05258856 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -0.3180 1.0800 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -0.4360 -0.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2310 -0.8550 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.7460 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -2.5370 2.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1280 -1.7940 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -3.9200 2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -3.8770 2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -2.8430 2.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -4.9880 3.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -4.9240 3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -3.7730 4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 -3.7570 4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -4.8750 4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -5.9500 4.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -6.0040 3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -2.5470 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -2.3000 0.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -1.0120 -1.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 1.5000 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 1.3010 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 1.5190 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -0.3260 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.3060 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -4.6480 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -4.2070 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -5.8330 3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -2.9140 4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 -2.8820 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -4.8680 5.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -6.9000 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -0.6840 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -2.2010 0.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -2.6220 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -2.8310 2.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -2.8250 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 33 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 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 27 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 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 19 32 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 M END