IFLAB-ZINC04032017 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 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 1.2130 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.5660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0840 4.1580 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 4.1910 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2340 -2.0390 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -2.6680 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.1650 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -4.6460 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -4.9690 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -6.4240 -0.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3660 -6.6940 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -7.0970 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -8.6060 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -8.7360 1.2000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -9.1540 2.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -9.4440 0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -6.9500 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -0.4910 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9700 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -2.3620 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.3710 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 -4.5840 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -6.9470 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -6.6630 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -9.1410 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 -8.9980 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -6.4720 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -6.8000 1.7740 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 10 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 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 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END