MDPI-ZINC04293390 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -1.9480 -1.4290 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 0.3040 -1.5530 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 0.2770 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 1.3960 -0.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 2.5730 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 3.6410 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 4.8240 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 4.9580 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 3.8920 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 2.7100 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 6.2330 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 6.3660 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 7.5500 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 8.6180 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 8.4820 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 7.2960 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 9.7940 -1.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 10.2960 -2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 9.3700 -3.7950 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 10.4580 -5.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 11.8920 -2.5070 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 12.3250 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -1.2480 -0.5100 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 -0.6610 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -1.5700 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -2.0640 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -1.6980 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 3.5370 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 5.6490 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 3.9970 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 1.8870 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 5.5410 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 7.6540 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 9.3070 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 7.1900 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 10.0560 -6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 11.4530 -4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 10.5190 -4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 12.3300 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 11.5920 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 13.3150 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 -0.1790 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 0.0560 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 -1.5050 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END