IBS-ZINC04981704 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 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 -2.1490 -0.0400 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -0.0270 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8850 -2.4240 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -2.5570 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -4.0680 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -4.7340 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -4.0740 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -5.0460 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -6.2010 -0.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -6.0300 -0.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -6.7350 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -4.8230 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -3.7020 0.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 -5.8600 0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -5.6480 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1050 -6.6480 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4530 -6.4250 1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4130 -7.3660 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5280 -6.7800 2.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3460 -7.2490 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3280 -5.4240 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0240 -5.1390 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5420 -3.8330 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3490 -2.8250 2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6360 -3.1060 3.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1290 -4.3910 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -2.5940 0.0160 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 -2.1640 1.0500 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -0.4180 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.4010 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -0.3780 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -0.4040 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 1.0630 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -2.3500 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -2.0400 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -4.4520 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -4.2650 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -6.7540 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 -7.6420 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3080 -8.4190 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5410 -3.6120 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9780 -1.8110 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2590 -2.3070 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1310 -4.5990 3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -2.4100 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -2.0960 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END