IFLAB-ZINC04851156 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2210 -0.6770 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 0.0430 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4250 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 2.1320 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 3.5560 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 4.1640 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 4.4500 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 5.0080 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 5.2800 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 4.9950 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 4.4410 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 5.8760 -0.0470 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2520 6.1270 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2720 6.1160 1.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7250 -0.7030 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -2.0000 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -2.7670 0.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -2.1550 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.8080 -0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.5590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 3.8850 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 3.8750 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 4.2380 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 5.2310 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 5.2070 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 4.2220 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -0.9360 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -0.0820 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -2.6000 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -1.7610 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -3.7350 0.2800 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END