MDPI-ZINC04292834 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 63 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 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -3.9070 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -4.4530 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -5.8210 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -6.6590 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -6.1050 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -4.7360 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -8.1220 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -8.9000 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -10.2910 -0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -11.0970 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -10.6180 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -12.5760 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -13.0560 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -13.3820 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -14.7740 -0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -15.5510 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -17.0140 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -17.8530 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -19.2200 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -19.7660 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -18.9370 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -17.5680 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -21.1150 -0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -21.6100 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -23.1400 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -23.6690 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -25.1990 -0.0990 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 -5.0540 -3.8040 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -6.2440 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -6.7490 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -4.3070 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -8.5480 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -10.6740 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -13.0000 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -15.1250 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -17.4290 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -19.8690 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -19.3660 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -16.9250 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -21.2580 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -21.2490 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -23.4910 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -23.5000 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -23.3170 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -23.3080 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -25.5760 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -25.5510 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -25.5600 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END