BU1YB5 -OEChem-04022105193D 78 83 0 1 0 0 0 0 0999 V2000 4.5803 0.5745 0.3135 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7655 -0.4419 2.7317 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -1.9091 0.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -4.4082 -0.8574 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3761 0.1820 3.2682 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1124 -5.0060 -2.1584 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4599 -4.7836 -2.4447 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 2.2551 -2.7552 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6095 -1.4190 0.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0214 4.9901 -2.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 0.0810 -1.6423 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9343 1.4192 1.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3850 4.0364 0.7426 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 1.3388 1.0972 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4924 0.3942 1.8144 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1431 -2.8805 0.5271 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3737 -2.2096 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3995 -3.4101 -0.8848 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0763 -0.5011 0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -0.9875 2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -1.1210 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1857 2.3114 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 1.1360 2.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -2.6789 2.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -4.0378 -1.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0609 -2.0674 2.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1278 -3.3834 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0734 -2.3464 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9941 1.8356 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 3.6838 0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 -3.7767 -1.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2445 -1.6774 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6123 2.7322 -1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6136 4.5804 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -2.0655 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5207 -3.1161 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4220 4.1046 -1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5421 0.8390 -2.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 -0.3185 -0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1775 0.2865 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6827 1.3638 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9163 2.0599 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8565 1.4070 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1425 3.3734 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0228 2.0675 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3089 4.0340 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2491 3.3810 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6273 0.0783 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 1.8948 1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -0.2819 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -3.7081 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6909 -2.6214 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 -0.7344 -0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0586 1.7279 3.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1598 1.7898 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -3.5234 2.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 -2.4441 3.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 0.7603 -0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3686 4.0693 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2072 -0.8602 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5908 -4.6626 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 5.6471 -0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -3.4158 -1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0275 0.6743 3.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 -5.1728 -2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7766 5.8938 -2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2026 0.6384 -3.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 0.4215 -1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5863 0.3508 -3.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6227 -0.1697 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1713 1.7916 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6693 0.3788 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4200 3.8985 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4725 5.0572 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3698 4.9331 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7249 0.0277 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5781 -0.5854 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4559 -0.2776 2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 28 1 0 0 0 0 4 18 1 0 0 0 0 4 61 1 0 0 0 0 5 23 1 0 0 0 0 5 64 1 0 0 0 0 6 25 2 0 0 0 0 7 31 1 0 0 0 0 7 65 1 0 0 0 0 8 33 1 0 0 0 0 8 38 1 0 0 0 0 9 35 1 0 0 0 0 9 39 1 0 0 0 0 10 37 1 0 0 0 0 10 66 1 0 0 0 0 11 39 2 0 0 0 0 12 45 1 0 0 0 0 12 48 1 0 0 0 0 13 47 1 0 0 0 0 13 75 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 49 1 0 0 0 0 15 23 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 26 1 0 0 0 0 21 53 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 2 0 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 58 1 0 0 0 0 30 34 2 0 0 0 0 30 59 1 0 0 0 0 31 36 1 0 0 0 0 32 35 1 0 0 0 0 32 60 1 0 0 0 0 33 37 2 0 0 0 0 34 37 1 0 0 0 0 34 62 1 0 0 0 0 35 36 2 0 0 0 0 36 63 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 70 1 0 0 0 0 41 42 1 0 0 0 0 41 71 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 72 1 0 0 0 0 44 46 2 0 0 0 0 44 73 1 0 0 0 0 45 47 2 0 0 0 0 46 47 1 0 0 0 0 46 74 1 0 0 0 0 48 76 1 0 0 0 0 48 77 1 0 0 0 0 48 78 1 0 0 0 0 M END $$$$