ASINEX-ZINC00777843 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.7100 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -0.0620 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -0.7420 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -2.0720 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -2.7190 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -2.0400 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -4.0720 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -4.7380 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -0.0680 0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 -0.8190 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -1.0880 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 0.1500 2.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 0.0880 3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3670 1.2520 4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7680 1.1860 5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8680 -0.0400 6.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -1.2020 5.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 -1.1410 4.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4160 -0.1260 7.9000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 1.2870 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 2.4230 0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -5.8170 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -4.4580 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 -4.4480 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 -0.2380 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 -1.7660 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -1.7220 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -1.5910 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 2.2090 3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0030 2.0930 5.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6460 -2.1580 5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 -2.0490 3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 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 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 23 24 3 0 0 0 0 M END