MDPI-ZINC03114392 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2070 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0880 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 2.1780 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6280 3.3960 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 1.5860 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5860 -0.6320 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -2.0600 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 -2.6240 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -2.2760 1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 -2.7570 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 -2.3280 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -2.9660 3.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 -2.6900 4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3510 -1.8240 5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -1.5440 6.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 -2.1280 7.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 -2.9920 7.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -3.2700 6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -4.1900 5.7880 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9480 -4.6990 6.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -4.4380 4.6560 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1680 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -2.4080 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -2.3990 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -3.7090 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -2.2060 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 -3.8450 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5490 -2.3420 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -2.6180 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 -1.2460 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 -1.3680 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6030 -0.8700 6.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4720 -1.9090 8.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -3.4460 8.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 23 1 M CHG 1 25 -1 M END