MDPI-ZINC03843371 MOE2007 3D CORINA 3.40 0006 02.08.2006 74 77 0 0 1 0 0 0 0 0999 V2000 0.0090 1.5350 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.0060 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -0.4790 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.5230 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -2.0490 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -2.5770 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -4.1040 -0.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2830 -4.4000 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -4.6150 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -5.2880 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 -5.8520 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 -5.1150 -0.9610 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4100 -5.1500 0.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1560 -6.1850 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -4.3130 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4330 -4.6170 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 -5.4610 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5590 -6.5170 0.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6500 -7.1060 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3230 -5.8120 -1.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0520 -5.0000 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4350 -6.7600 -2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7820 -7.4890 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5870 -7.2790 -0.9900 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.7040 -7.4770 0.2600 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.2880 -8.5080 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7410 -7.4360 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9430 -8.2200 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6690 -8.3510 -0.7270 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.5570 -8.1250 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1600 -9.6460 -1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3060 -5.9310 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1250 -3.6720 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -4.6860 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -3.9550 1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 1.9120 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8810 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.9030 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -0.3620 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -0.1120 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -1.5690 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -0.1030 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.2290 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -0.1060 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.3430 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -2.4660 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -2.2840 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -2.1600 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -5.4510 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -5.7320 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -6.9100 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -4.5640 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -3.2530 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -4.6710 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 -3.5800 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 -5.9490 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5630 -4.8190 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2910 -6.1990 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 -7.5100 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3530 -7.1260 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6040 -8.5620 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3580 -7.9520 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0230 -6.4180 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0060 -9.2090 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8680 -7.6710 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7940 -10.3620 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8840 -5.8370 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9760 -5.8670 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5720 -5.1260 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 -3.6760 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -3.1500 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 -3.1650 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -6.0160 0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -6.3420 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 33 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 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 2 0 0 0 0 34 73 1 0 0 0 0 73 74 1 0 0 0 0 M END