B0JRA3 -OEChem-04022101212D 79 83 0 0 0 0 0 0 0999 V2000 11.1972 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1847 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8733 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2719 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 15 1 0 0 0 0 3 27 1 0 0 0 0 3 57 1 0 0 0 0 4 19 1 0 0 0 0 4 30 1 0 0 0 0 4 60 1 0 0 0 0 5 39 1 0 0 0 0 5 43 2 0 0 0 0 6 43 1 0 0 0 0 6 76 1 0 0 0 0 6 77 1 0 0 0 0 7 43 1 0 0 0 0 7 78 1 0 0 0 0 7 79 1 0 0 0 0 8 11 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 12 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 22 2 0 0 0 0 11 24 1 0 0 0 0 12 23 2 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 48 1 0 0 0 0 14 18 2 0 0 0 0 14 49 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 16 26 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 20 29 1 0 0 0 0 21 52 1 0 0 0 0 22 31 1 0 0 0 0 22 53 1 0 0 0 0 23 32 1 0 0 0 0 23 54 1 0 0 0 0 24 33 2 0 0 0 0 24 55 1 0 0 0 0 25 34 2 0 0 0 0 25 56 1 0 0 0 0 26 37 2 0 0 0 0 26 38 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 39 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 35 2 0 0 0 0 31 63 1 0 0 0 0 32 36 2 0 0 0 0 32 64 1 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 37 40 1 0 0 0 0 37 69 1 0 0 0 0 38 41 2 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 40 42 2 0 0 0 0 40 73 1 0 0 0 0 41 42 1 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 M END $$$$