IBS-ZINC05253918 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 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 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -4.0220 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.6540 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 -6.0430 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -6.6890 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 -5.9460 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 -4.5500 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -3.9120 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7860 -6.6340 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8340 -7.8490 0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9260 -5.9150 0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2230 -6.5980 0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.1460 -7.5150 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2770 -5.6820 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9410 -5.4460 2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4220 -6.1270 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8920 -5.6300 4.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0890 -5.9610 5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0340 -4.5910 4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0230 -4.4340 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2280 -3.4470 2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 -2.6380 2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4650 -2.7920 4.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2480 -3.7550 4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6230 -6.9340 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9000 -6.6330 -2.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7830 -7.5660 -1.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1040 -7.8570 -2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4540 -8.5750 -3.0410 C 0 0 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.2420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -2.2320 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -6.6170 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -7.7680 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -3.9720 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -2.8320 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8890 -4.9460 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2910 -4.7300 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2570 -6.1540 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1250 -6.9450 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2180 -3.3220 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -1.8750 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8530 -2.1450 4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2430 -3.8680 5.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1580 -6.9260 -3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3300 -8.4960 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4000 -9.5060 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2280 -7.9370 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6950 -8.7940 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 12 48 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 49 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END