BJR1F3 -OEChem-04022113213D 68 72 0 1 0 0 0 0 0999 V2000 -2.2397 -3.5477 0.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1909 3.4117 0.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7833 1.6799 -1.3672 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 0.4707 0.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 1.3648 2.2513 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5392 1.2142 -0.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 0.0179 -0.2532 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9600 -0.2044 0.3200 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1255 -2.4691 0.1043 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5636 -1.0826 0.3981 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0072 0.9443 0.0511 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4733 -1.6293 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5365 -2.6981 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 1.4295 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5345 -3.3910 -0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3667 2.3151 0.4257 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9922 2.5408 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 -0.0997 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 0.9643 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 -0.8861 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2376 0.7344 0.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 -0.6268 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 -0.4382 0.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 -1.0934 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 0.5632 1.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3018 -0.5595 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 -0.9572 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 -0.3882 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2931 0.1982 -1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4246 -0.4364 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5776 0.7369 -1.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7092 0.1020 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2857 0.6887 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2062 1.1310 0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 -0.1899 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -0.9662 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5738 -1.7711 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4649 -1.7948 0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5682 -2.6732 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8969 -3.6889 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0472 1.6591 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 1.4533 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 -4.1322 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -3.0332 -1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2661 2.3704 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5887 3.4981 0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0715 2.6590 -1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3913 0.0552 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0187 0.6479 -2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 -1.0771 -2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7867 -0.0407 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9015 1.4588 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7841 -0.9706 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8787 1.6218 1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9168 0.5263 2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8620 -0.1049 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7744 4.2278 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4819 -0.5160 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 1.6827 -2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6854 -1.9060 -0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -1.7528 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 0.2433 -2.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9929 -0.8941 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0215 1.1926 -2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2031 0.0300 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1893 1.5971 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3807 0.0906 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6783 1.6989 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 2 57 1 0 0 0 0 3 19 1 0 0 0 0 3 59 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 25 2 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 20 1 0 0 0 0 10 36 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 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 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 60 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 62 1 0 0 0 0 30 32 2 0 0 0 0 30 63 1 0 0 0 0 31 33 2 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 M END $$$$