IFLAB-ZINC04248454 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.3980 1.2260 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.1400 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.6810 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.9020 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.6220 0.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -3.8680 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -4.0990 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -3.0260 -0.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -2.1510 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.8570 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -5.3040 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -5.3960 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 -6.6530 2.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -6.8840 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -6.0220 0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 -8.3340 1.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2470 -8.9750 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3270 -8.4770 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0520 -9.7620 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -10.5580 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7160 -10.2370 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -8.8000 3.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8450 -8.1110 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -8.8870 4.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -8.5800 3.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 1.2360 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 1.5520 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 1.9630 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -0.0890 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -2.3610 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -4.4670 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -0.4780 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -5.2960 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -6.2000 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -5.3320 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -4.5700 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -7.4470 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0120 -7.6570 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1260 -8.3940 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8420 -10.0390 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3170 -11.4870 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 -10.4020 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -10.9760 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 -9.2190 5.2250 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