B2UXA5 -OEChem-04022100262D 60 64 0 1 0 0 0 0 0999 V2000 4.3660 -1.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 -1.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.1019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 0.9109 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5388 -0.3981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -2.2641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.1019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5000 -0.7641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5000 0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5388 0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9479 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3006 2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -3.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -3.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6389 3.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9916 3.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 3.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -0.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 1.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -1.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -0.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 1.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 -0.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 -1.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -0.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -1.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 1.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1554 0.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6678 1.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 -0.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -0.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -1.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5544 2.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 1.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -3.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -3.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0537 4.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3852 3.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4691 4.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 51 1 0 0 0 0 2 18 2 0 0 0 0 8 3 1 1 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 19 1 0 0 0 0 4 21 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 50 1 0 0 0 0 6 20 1 0 0 0 0 6 26 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 23 27 1 0 0 0 0 23 53 1 0 0 0 0 24 28 2 0 0 0 0 24 54 1 0 0 0 0 25 29 2 0 0 0 0 25 55 1 0 0 0 0 26 29 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 M END $$$$