IFLAB-ZINC04071108 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 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 0.7420 -0.5110 1.2420 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 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -2.5520 -0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -3.8970 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -4.7230 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -6.0900 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -6.6380 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -5.8170 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -4.4450 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -6.3560 -0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6940 -7.7770 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -8.1900 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0080 -7.3540 -0.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4730 -9.4870 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8880 -9.8120 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0660 -11.3260 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5090 -11.9690 0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5850 -13.3250 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 -14.0140 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1430 -15.3930 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7410 -16.0860 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2610 -15.4010 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1890 -14.0220 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8230 -17.5620 0.7030 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3650 -18.1660 1.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3490 -18.1740 -0.2090 O 0 5 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -4.2970 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -6.7320 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -7.7070 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -3.8040 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -8.0920 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -8.2480 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3210 -9.4720 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3900 -9.3160 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1280 -11.5620 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -11.6780 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5970 -13.4730 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 -15.9300 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 -15.9450 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5990 -13.4880 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END