MDPI-ZINC04235570 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 69 0 0 0 0 0 0 0 0999 V2000 0.4720 1.4900 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -0.0360 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -0.4890 -1.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -1.8450 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -2.7740 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -4.1040 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -4.5460 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -3.6060 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -2.2750 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -1.2670 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -5.9750 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -6.9510 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -8.3140 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -9.2890 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -8.9320 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -9.8670 -0.2640 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3920 -11.2800 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -9.4900 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -7.5170 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -6.5830 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -5.1220 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -10.7330 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -6.4020 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -6.8230 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 -7.2220 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -7.2090 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -6.7960 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -6.3830 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -5.9350 -3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -5.5800 -3.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -5.9190 -4.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -5.4660 -5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -5.5170 -6.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 1.8280 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.8030 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.9270 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -0.4720 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -0.3490 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 0.1580 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -2.4400 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -3.9360 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -1.0940 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -1.6470 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -0.3300 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -8.5760 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -11.4370 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -11.8920 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -11.5630 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -8.8670 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 -10.3880 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -8.9330 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -7.2220 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -5.0000 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -4.8780 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -10.7960 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -11.2820 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -11.1670 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 -6.8360 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -7.5470 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2460 -7.5240 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 -6.7890 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -4.4430 -5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -6.1140 -5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 -4.8700 -6.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -5.1780 -7.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -6.5410 -6.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 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 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 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 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M CHG 1 16 1 M END