IBS-ZINC04994972 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 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 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -3.9080 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -4.4540 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -5.8240 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -6.6580 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -6.1070 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -4.7370 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -8.1320 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -9.0910 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -10.3150 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -10.0500 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -10.7200 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 -8.7800 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -11.6430 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -11.7370 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -12.7540 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -14.0180 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -15.0880 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -16.4190 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 -17.5820 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -18.8050 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -18.8410 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -17.7290 -0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -16.5410 -0.0840 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 -5.0530 -3.8070 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 -6.2480 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -6.7520 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -4.3090 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -8.9090 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -12.6790 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -15.0050 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -17.5250 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -19.7230 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -19.7940 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -15.6530 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 44 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 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 48 1 0 0 0 0 M END