MDPI-ZINC04701084 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 64 0 0 0 0 0 0 0 0999 V2000 1.5590 1.7040 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 0.5530 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 0.5630 0.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 1.5380 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 1.8010 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.7930 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 3.5330 3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 3.3020 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 2.2990 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 2.0720 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 2.8340 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 3.8220 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 4.0540 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 4.7770 2.9120 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 5.9950 3.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 4.7230 1.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 1.1110 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 3.0980 3.7140 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 3.7050 4.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 1.9010 3.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.5760 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -1.6340 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -2.7410 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -3.8250 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -4.8480 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -4.8230 -4.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -3.7660 -4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -2.7110 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -1.6490 -3.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -0.6180 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 0.2960 -2.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -1.6500 -4.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -1.9690 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -1.9680 -5.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -1.6500 -6.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -1.3320 -6.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -1.3250 -5.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -1.6360 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 1.5560 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 1.7550 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 2.6350 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 1.2280 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 4.2990 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 2.6620 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 4.8240 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 0.2420 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -3.8520 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -5.6840 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -5.6390 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -3.7560 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -2.2180 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -2.2170 -5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -1.6500 -7.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -1.0850 -7.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -1.0720 -6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.8990 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 4.0500 4.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 4.1500 2.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 4.3940 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 4.4940 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 57 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 58 1 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 38 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 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 35 36 2 0 0 0 0 35 53 1 0 0 0 0 36 37 1 0 0 0 0 36 54 1 0 0 0 0 37 55 1 0 0 0 0 38 56 1 0 0 0 0 57 60 1 0 0 0 0 58 59 1 0 0 0 0 M END