MDPI-ZINC03843402 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -4.1230 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -4.6300 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -5.9960 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -6.8950 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -8.2560 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 -8.6470 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -7.7650 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 -6.4680 0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -9.1920 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -8.7500 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -9.9720 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -9.5100 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -10.7320 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -10.2710 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -11.4920 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.2420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -2.2320 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -4.4740 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -4.4840 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -4.0100 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -6.5450 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 -8.1140 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -10.1390 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -8.1460 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -8.1550 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -10.5760 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -10.5670 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -8.9060 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -8.9160 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -11.3360 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -11.3270 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -9.6670 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -9.6760 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -12.0960 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 -12.0870 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 -11.1640 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 M END