IFLAB-ZINC00151513 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.6860 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -4.0520 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -4.6320 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -3.7800 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -2.4020 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -4.8170 0.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -6.3310 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -5.9980 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -7.1980 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -8.1960 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -7.6380 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -9.6500 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -10.5760 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -11.9270 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -12.3620 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -11.4470 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -10.0940 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -13.8130 -0.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1020 -14.6200 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -14.1990 -0.0820 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -2.2590 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -4.6860 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -1.7630 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -7.3120 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -10.2370 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -12.6460 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -11.7930 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -9.3800 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END