SPECS-ZINC00978201 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 0.0310 1.4590 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.0060 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.6940 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -2.1000 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -2.7250 2.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -2.0560 3.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -0.7320 2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -0.0450 1.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -0.0080 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -0.7160 5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.0380 6.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 1.3420 5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 2.0500 4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 1.3810 3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 3.9360 4.9200 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -2.8690 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.5570 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -3.2760 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -4.3050 -1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -4.6190 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -3.9110 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 1.8210 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 1.8190 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.8260 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -0.4940 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -1.7930 5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 -0.5850 6.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 1.8690 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.9340 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -1.7540 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -3.0350 -3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -4.8650 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -5.4230 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -4.1600 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M END