BDB52M -OEChem-04012114273D 80 83 0 1 0 0 0 0 0999 V2000 1.3870 2.9954 -0.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3486 -0.3325 1.3582 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 -0.6726 -0.5493 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4533 0.6914 -0.1256 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6103 -0.3662 -0.3784 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2629 -0.7572 -0.0771 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3261 1.6820 -0.9486 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0588 0.6077 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7487 1.0716 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 0.6802 0.0995 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7105 -0.6685 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 -1.7887 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 0.7824 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5898 -1.3413 -1.0200 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8141 -1.0620 -2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6119 1.0478 1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 -1.6845 1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2685 1.6562 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 -1.7321 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7719 1.6274 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9253 -0.2423 1.3060 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3936 -1.6504 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5254 -1.3825 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 -0.9497 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8191 2.2041 0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2138 0.6007 -1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -2.7554 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 -0.9318 0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9558 -0.6015 0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5367 0.6119 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0270 0.7314 1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8217 1.9292 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -0.3372 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 1.7622 -1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4383 1.6559 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.0783 -1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5072 1.0209 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9574 -1.7347 1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 -2.7807 -0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4564 -1.3614 -2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2543 -1.0781 -2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 -0.3711 -2.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1884 -2.0618 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 1.1725 1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1078 1.9961 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 0.2989 2.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4784 -1.4007 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5751 -2.7277 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 2.6805 -0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 1.4479 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4228 -2.6674 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 2.5391 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5955 0.0908 2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8284 -2.0871 0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7354 -2.3025 1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -1.5915 -1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 -0.7505 -2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0106 -2.3470 -1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2581 0.0319 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7048 -1.6528 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2564 2.4622 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6228 2.9738 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8846 2.2695 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2663 0.8895 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8068 1.2303 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2191 -0.4303 -1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 3.5128 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1562 -2.7715 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -3.2537 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 -3.3912 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -1.9083 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -0.2149 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6593 -0.7899 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5993 -1.4778 0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5194 -0.2441 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4708 1.2646 0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2530 1.2856 2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2089 2.5057 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 1.8168 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9719 2.5122 1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 67 1 0 0 0 0 2 21 1 0 0 0 0 2 73 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 20 2 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 37 1 0 0 0 0 11 19 2 0 0 0 0 12 19 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 21 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 24 1 0 0 0 0 14 27 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 22 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 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 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 28 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 30 2 0 0 0 0 29 74 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 M END $$$$