PUBCHEM-ZINC04565076 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0210 -0.3800 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.5090 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -1.9560 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -2.8180 1.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -2.3000 0.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -1.3280 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -1.2510 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -0.2960 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 0.5790 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 0.5140 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -0.4310 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.4750 -1.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.9410 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.9740 -2.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.4220 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -1.8960 -4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -2.3770 -5.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 -2.3440 -5.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -2.8420 -6.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -3.2880 -7.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 1.5900 -2.8410 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0300 1.6490 -2.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 2.3630 -3.5300 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 0.0850 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.4080 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -3.2280 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -1.9340 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -0.2340 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 1.1990 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -0.6060 -3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -2.2490 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -2.7120 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -1.0690 -4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -2.4590 -8.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -4.1020 -7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -3.6380 -8.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END