PUBCHEM-ZINC05502618 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 0.4830 0.5620 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 0.8240 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 1.2390 3.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0650 2.3250 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 0.7470 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 1.2450 5.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 2.3760 6.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 2.4580 7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 1.4040 7.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.6770 6.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -0.5670 5.9320 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0490 -1.1690 4.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -0.9900 6.6180 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1600 0.6620 3.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 2.7120 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 3.1780 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 2.6070 -1.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 3.2540 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 2.7610 0.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 3.4480 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.5120 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 0.9050 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 0.7820 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 1.2940 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -0.2590 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -0.3430 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.1150 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 3.0700 6.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 3.2340 8.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.3040 3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 2.9800 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 3.1940 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 4.2660 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 2.9840 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 2.9360 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 4.3340 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 4.5180 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 3.0900 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 3.2600 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 1.2540 0.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 10 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 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END