PUBCHEM-ZINC06545600 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 1.6680 2.0030 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 2.3160 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 2.4770 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 2.7760 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 2.8550 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 2.6780 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 2.4260 -2.4600 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2750 3.0910 -4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 4.8290 -4.5220 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 5.8410 -4.8390 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 5.3860 -6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 6.1790 -7.6470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8630 7.1550 -7.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 5.2730 -8.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 5.0730 -9.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 2.9160 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 2.3590 0.4610 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4870 1.0380 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 1.9420 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 2.7860 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 2.7210 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 2.7280 -5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 2.4890 -4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 5.5490 -6.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 4.3040 -6.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 3.7080 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 1.9610 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 2.2980 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 4.8570 -9.2840 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7870 6.4250 -7.3720 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0830 7.3950 -7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 6.0440 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 5.8540 -8.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 3.2450 -0.0090 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2720 2.8560 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 4.2360 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 2.7920 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 M CHG 1 7 1 M CHG 1 17 -1 M CHG 1 29 -1 M CHG 1 30 1 M CHG 1 34 1 M END