MDPI-ZINC04281077 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.3740 1.5930 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 0.0750 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -0.4360 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.9640 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.4740 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -3.9800 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -4.7390 -3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -6.1340 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -6.7750 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -6.0330 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -4.6390 -1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -8.2420 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -8.9020 -1.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -10.2980 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -10.9730 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -12.3610 -2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -13.1030 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -12.4160 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -11.0280 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -14.6040 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -15.1530 -3.1280 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6150 2.0380 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 1.9670 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 1.9370 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -0.2670 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -0.3380 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.0880 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.0170 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -2.3110 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.3830 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1250 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -2.0540 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -4.2460 -3.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -6.7060 -3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -6.5350 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -4.0690 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -8.7620 -3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -10.4150 -3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -12.8730 -3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -12.9710 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -10.5130 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -15.2040 -1.3540 O 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 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 2 0 0 0 0 M CHG 1 21 -1 M END