MDPI-ZINC03844670 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0400 1.1330 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -0.2490 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -0.7910 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 0.0430 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 1.4340 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 1.9740 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -0.5680 0.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8400 -1.6620 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -0.1290 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -1.0210 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 -2.1700 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 -3.0080 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 -2.6940 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 -1.5540 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 -0.7230 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3300 -3.5700 -1.9830 N 0 3 0 0 0 0 0 0 0 0 0 0 9.1740 -4.5750 -2.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -3.2570 -1.4410 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5910 -0.2130 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 0.8530 1.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 1.5550 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -0.9070 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -1.8720 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 2.1030 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 3.0520 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -0.1540 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 0.9130 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -2.4190 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 -3.8920 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 -1.2980 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2990 0.1570 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -1.0480 2.3510 O 0 5 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 32 -1 M END