B86BLS -OEChem-04012119372D 82 81 0 1 0 0 0 0 0999 V2000 21.0526 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 0.4050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 22.7846 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -0.0950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.3205 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5885 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5156 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 61 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 13 1 0 0 0 0 8 40 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 19 2 0 0 0 0 14 24 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 22 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 23 29 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 30 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 31 2 0 0 0 0 30 76 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$