IBS-ZINC04827067 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.6980 1.9360 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 0.5880 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 0.3810 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 1.5250 -1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 2.4720 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -0.9160 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -1.7130 -1.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -1.5840 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -0.8160 -1.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -2.4380 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -2.5190 -4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -1.8180 -3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -1.8340 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 -1.1730 -2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 -0.4930 -3.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -0.4680 -4.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -1.1310 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5230 -1.1900 -0.9310 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9020 -1.7870 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5540 -0.6080 -0.6440 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5460 -3.3400 -3.6060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -2.5810 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -2.8970 -1.5220 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 2.4380 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.1360 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 3.4910 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -0.7050 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.4710 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -3.0990 -5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -2.3630 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 0.0220 -3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 0.0660 -5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -1.1120 -6.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -0.3740 -6.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END