PUBCHEM-ZINC00309839 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.4080 2.4880 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 1.3990 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 0.4250 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.5390 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 1.6310 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 2.6030 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -0.5160 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -0.2740 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 -1.4090 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 -2.5680 0.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 -0.9730 0.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1920 -1.7000 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 -3.3270 0.4650 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -0.8580 -0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5930 -0.8680 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4170 -0.1340 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7930 -0.0630 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3550 -0.7050 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5490 -1.4200 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1640 -1.4930 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1550 -2.0800 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -2.6570 3.2900 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3660 3.2440 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 1.3050 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -0.4190 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 1.7320 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 3.4460 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -1.5320 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 0.7350 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 0.0240 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 -0.1480 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0050 0.3770 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4270 0.4960 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4280 -0.6400 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -2.0140 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4170 -2.0010 2.6150 O 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 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 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 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 2 0 0 0 0 M CHG 1 22 -1 M END