B3RDO4 -OEChem-04022102402D 72 76 0 0 0 0 0 0 0999 V2000 15.5998 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7338 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2036 0.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7434 -0.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 2.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3318 -1.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5998 0.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7338 2.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6036 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1979 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6979 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1979 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3318 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4658 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4658 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5998 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7338 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8677 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8677 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4658 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9738 0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9738 2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0677 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3318 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4658 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0677 1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3357 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1979 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3318 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1979 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2755 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 0.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 2.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7595 -3.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2229 -4.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1728 -4.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7805 -3.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3055 -2.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7213 -2.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1198 -2.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8688 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0764 0.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6779 0.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9810 -0.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9810 2.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3318 1.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9289 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5320 2.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7324 1.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9353 1.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7348 1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3318 4.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 -0.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -0.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6108 -0.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4079 -0.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2683 1.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4713 1.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7348 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6013 1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2779 -0.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 1.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 2.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 17 2 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 35 2 0 0 0 0 5 40 1 0 0 0 0 5 72 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 48 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 16 2 0 0 0 0 8 19 1 0 0 0 0 9 30 1 0 0 0 0 9 35 1 0 0 0 0 9 67 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 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 15 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 51 1 0 0 0 0 22 26 2 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 24 28 1 0 0 0 0 24 53 1 0 0 0 0 25 29 2 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 30 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 33 2 0 0 0 0 28 58 1 0 0 0 0 29 33 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 35 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 36 38 1 0 0 0 0 36 68 1 0 0 0 0 37 39 2 0 0 0 0 37 69 1 0 0 0 0 38 40 2 0 0 0 0 38 70 1 0 0 0 0 39 40 1 0 0 0 0 39 71 1 0 0 0 0 M END $$$$