BMRD86 -OEChem-04022110023D 59 61 0 1 0 0 0 0 0999 V2000 -6.4663 -0.8346 0.1507 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.0340 -0.7588 0.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 -1.8492 1.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1375 -1.1377 -1.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3518 -0.5195 1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 1.1085 -1.5361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 1.2212 1.7734 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5956 0.9738 0.0126 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 0.3258 -0.3599 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8541 0.7637 0.7147 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7262 1.9363 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 2.2258 -1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7405 1.9838 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4254 0.3290 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 0.7211 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9999 -0.0616 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 -0.5676 -0.2551 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2894 0.2523 -0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 -1.7870 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6251 -2.8212 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 1.1575 0.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -2.7595 -0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 -3.8389 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 2.0379 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 -3.7157 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 -4.7949 0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 -4.7334 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 3.2473 1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 1.6540 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 4.0730 0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 2.4795 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3841 3.6891 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7009 0.7455 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5158 2.8051 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7992 1.7371 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6958 1.5220 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4787 3.2399 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3118 1.6375 -1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 2.8847 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 1.7967 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 0.5063 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8229 0.1570 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 -1.1383 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6156 -1.5127 0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0324 -2.8107 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3963 -0.8626 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7239 -2.2624 -1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0577 -1.4884 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 0.4187 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.9727 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -3.8960 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9175 -3.6678 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5779 -5.5869 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0114 -5.4777 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 3.5660 1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 0.7074 -1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 5.0151 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9964 2.1777 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2369 4.3312 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 2 44 1 0 0 0 0 3 45 1 0 0 0 0 5 14 2 0 0 0 0 6 18 2 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 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 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 32 2 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 32 59 1 0 0 0 0 M END $$$$