BUH7R1 -OEChem-04022108033D 58 60 0 1 0 0 0 0 0999 V2000 -3.8447 1.6889 -0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 1.4679 -1.3463 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0282 2.4081 2.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 2.4791 -3.6665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 -3.9086 1.2483 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 -3.4024 -1.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 1.8645 0.7304 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 1.3925 1.1052 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 2.9698 -2.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 0.1575 -0.4336 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 2.2422 1.7304 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3223 2.9370 -0.0322 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1820 3.4417 0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 1.5259 1.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 1.3816 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 2.3757 -1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 0.4133 1.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 1.5498 1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -0.9270 0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8478 -1.5890 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 0.6100 0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 -2.4544 0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4657 -1.3354 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 -0.6515 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 0.9633 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 -3.0665 0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -1.9473 -1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5725 -2.8129 -0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 -1.5089 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -1.0608 -0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 -4.1143 2.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 -3.0895 -2.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 2.5706 2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0595 3.7270 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 3.8356 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 4.2476 1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 0.4417 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6898 1.9249 2.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 0.7151 0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 0.2620 2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7295 0.8510 1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8196 -0.8030 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5521 -1.5977 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 3.7954 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4365 -2.6097 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 -0.6716 -1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 1.8249 -3.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 -1.0113 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1149 1.9340 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0918 -1.7036 -2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 -2.4995 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 -1.6921 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 -4.8112 3.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 -4.5899 2.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 -3.1879 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7686 -3.6438 -2.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -2.0261 -2.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0778 -3.4299 -3.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 9 1 0 0 0 0 4 47 1 0 0 0 0 5 26 1 0 0 0 0 5 31 1 0 0 0 0 6 28 1 0 0 0 0 6 32 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 39 1 0 0 0 0 9 16 1 0 0 0 0 9 44 1 0 0 0 0 10 25 1 0 0 0 0 10 30 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 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 21 25 2 0 0 0 0 22 26 1 0 0 0 0 22 45 1 0 0 0 0 23 27 2 0 0 0 0 23 46 1 0 0 0 0 24 29 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$