IBS-ZINC02195198 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5530 -1.7860 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 -0.2560 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -0.5310 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -0.5600 0.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -0.2930 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -0.7940 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 -0.7940 2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 -1.0540 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3930 -1.2870 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 -1.5520 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7400 -1.7750 2.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0190 -2.9780 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5220 -4.0340 2.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0330 -2.7980 4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6850 -3.6560 5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6090 -3.1500 5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8840 -1.7960 5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2390 -0.9250 5.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3130 -1.4170 4.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4630 -0.8050 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4230 0.3760 2.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -0.8510 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 0.8060 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 -1.4920 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 0.2640 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 0.7670 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -0.8950 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3490 -1.9380 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7020 -0.1940 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 -0.4040 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0810 -2.1480 2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7370 -2.4350 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 -0.6910 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4740 -4.7150 5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1180 -3.8180 6.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6060 -1.4130 6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4570 0.1320 5.1470 H 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 27 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 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M END