MDPI-ZINC04273441 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 71 0 0 1 0 0 0 0 0999 V2000 -0.6570 1.6370 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 0.2410 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -0.3420 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 0.4940 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 1.8910 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 2.4730 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 3.9380 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 4.7390 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 6.1350 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 6.7520 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 5.9500 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 4.5540 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 6.7820 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 6.4650 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 8.0830 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 8.0960 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 9.3790 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 10.4840 -1.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4430 10.2030 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 10.4660 -0.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 9.2700 -0.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5920 9.2870 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 9.4380 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 10.9500 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 11.4680 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 12.5790 0.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 11.8340 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 11.9800 -1.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -0.3080 0.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 0.0360 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -1.6230 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -1.6760 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.9820 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -4.0920 -0.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1720 -3.8590 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -4.0010 0.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -2.7870 1.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7340 -2.8390 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -2.8670 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -4.3650 2.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -4.9460 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -6.0520 1.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -5.4650 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -5.5990 -0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 2.0690 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.3820 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 2.5070 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 4.2800 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 6.7310 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 3.9650 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 9.6500 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 9.2420 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 8.9260 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 9.0520 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 11.3250 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 11.2620 2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -3.2100 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -2.9030 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -2.3350 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -2.4460 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -4.7530 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.6190 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 12.6100 -2.4160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6860 -6.2760 -1.3960 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 45 1 0 0 0 0 2 3 2 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 9 10 2 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 63 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 43 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 40 41 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 41 42 2 0 0 0 0 43 44 2 0 0 0 0 43 64 1 0 0 0 0 M CHG 1 63 -1 M CHG 1 64 -1 M END