IFLAB-ZINC02699817 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.5850 1.1960 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -0.2600 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -0.8040 0.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -2.1130 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -2.8290 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -2.5870 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -3.9070 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 -4.4090 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -3.5950 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -2.2750 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -1.7720 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -4.1420 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7110 -4.4520 1.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0230 -4.8510 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8050 -4.9880 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4250 -5.1100 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7690 -3.5150 3.5080 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.1020 -4.0530 5.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1660 -3.0680 6.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3020 -1.6180 7.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4130 -3.4130 7.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4670 -2.3580 8.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6040 -4.7380 7.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8790 -5.4140 9.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0070 -6.7820 8.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7560 -7.2440 7.1770 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.5130 -5.6380 6.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2640 -5.3630 5.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3270 -7.7700 9.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0520 -7.3900 10.8090 O 0 5 0 0 0 0 0 0 0 0 0 0 -11.0100 -4.7210 10.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 1.6570 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 1.7550 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 1.2900 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.3380 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.8110 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -4.5570 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -5.4410 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 -1.6320 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -0.7450 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8140 -3.4140 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -5.0550 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -4.3650 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3170 -5.7440 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6120 -5.6340 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0660 -4.5750 10.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5320 -5.3000 11.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5230 -3.7430 10.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8630 -8.9450 9.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 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 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 28 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 29 49 2 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 1 30 -1 M END