NCID-ZINC01688829 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.0690 0.7340 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 0.9870 2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 2.9300 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 3.4160 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 3.4580 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 3.1060 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 3.1570 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9240 3.5620 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 3.9220 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 3.8770 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 4.2470 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 4.2130 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 3.8130 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 3.7410 -1.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 4.9230 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 5.9060 -0.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 4.8120 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 5.7710 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 5.7060 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 4.6780 -2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 3.7230 -2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.7940 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 4.5960 -2.4440 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2170 5.2810 -1.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 3.8460 -3.3730 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0080 -0.3450 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.0820 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 0.9740 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 1.3260 2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -0.1030 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 1.4340 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 3.2410 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 3.3610 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 2.7970 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 2.8840 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0060 3.6050 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 4.2410 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 4.5680 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 4.4960 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 6.5730 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 6.4600 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 2.9230 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 3.0480 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 1.4170 1.3990 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7200 1.1000 1.2720 H 0 0 0 0 0 0 0 0 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 1 44 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 44 1 M END