MDPI-ZINC03850143 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 -1.2870 1.6730 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.3060 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 0.2030 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 1.1860 -1.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -1.1720 -1.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5410 -1.8670 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -1.1340 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -0.4370 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -0.9970 -3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -0.9820 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -1.7300 -2.9150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6420 -2.7480 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -1.9130 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -0.6070 -4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.8340 -4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.7180 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -3.8370 -2.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 2.4580 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 1.9080 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 1.7020 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 0.0960 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -0.4550 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -0.6420 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -2.1650 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 0.6400 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -0.5510 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -0.4180 -3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -2.0270 -3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 0.0550 -3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -1.4490 -4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.0430 -4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -0.8120 -4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 0.0470 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -3.7440 -4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -3.1500 -5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -2.3260 -5.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -2.1550 -2.4870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 M CHG 1 37 -1 M END