MDPI-ZINC03849195 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3720 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 1.2490 -0.5510 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 0.7350 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.9580 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.9930 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -2.4400 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -3.7690 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -4.6500 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -4.1830 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -2.8770 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -5.3140 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -6.4510 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -6.0490 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -7.7770 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -5.3100 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -6.4250 -0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -6.4220 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -7.6280 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 -7.6180 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -6.4140 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -5.2140 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -5.2110 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5200 -6.4100 0.0500 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -4.2730 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 -3.1860 -0.0680 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -5.0550 1.0730 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -5.0460 -1.2110 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.9390 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -0.6010 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 3.0250 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.7290 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -7.9810 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -8.4960 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -8.5670 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -8.5500 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -4.2790 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -4.2750 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 31 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 32 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END