MDPI-ZINC04235571 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 0.8730 2.4160 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 1.0280 -3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 0.2130 -2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 0.7780 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 2.1750 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 2.9910 -2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -0.0670 -2.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 0.1670 -1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -0.5570 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0710 0.0580 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 -0.6830 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1690 -2.0690 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -2.7810 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3220 -4.1620 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1180 -4.8710 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 -4.1570 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -2.7430 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -1.9490 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -2.5590 -0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 -4.8590 -0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0630 -6.2710 0.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -6.5300 1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 -7.9190 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -8.4450 2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -9.8200 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2840 -10.6950 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5090 -10.1670 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -8.7910 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1320 -12.0540 2.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8800 -5.0230 0.2860 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7960 -5.4460 1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8290 -6.0940 -0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 1.8320 -1.0700 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 2.0060 -2.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 2.3620 -0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 3.0500 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 0.5770 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -0.8670 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 2.6290 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 4.0720 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1940 -0.1730 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3050 -2.2570 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.8480 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -4.3200 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 -5.8560 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -7.7800 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -10.2000 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3610 -10.8210 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 -8.3950 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 -12.4390 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9020 -12.6900 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8970 -4.0080 0.0190 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6100 2.1250 -0.7990 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 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 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 22 23 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 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 53 1 0 0 0 0 M CHG 1 52 -1 M CHG 1 53 -1 M END