IBS-ZINC04024955 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 46 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 -1.0230 -0.3750 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.5000 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -1.8390 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -2.7180 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -2.6110 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -3.6520 4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -4.7600 3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -4.8910 2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -3.8490 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -3.6550 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -4.2740 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -2.4550 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -1.8790 -1.4750 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2260 -2.4560 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.4670 -1.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.3240 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.5290 -2.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -0.5490 -3.2990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9120 -0.9020 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -1.7510 -2.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1520 -1.4990 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -2.9060 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -2.4140 -4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -1.1630 -4.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 0.0220 -4.0640 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 1.4890 0.2220 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.5840 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -1.7510 3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -3.6050 5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -5.5490 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -5.7590 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -3.7450 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -3.2110 -3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -3.1540 -5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -0.9300 -5.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 0.7820 -4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 0.4570 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 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 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 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 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END