BDF02K -OEChem-04022115283D 89 94 0 1 0 0 0 0 0999 V2000 -4.0338 0.9616 0.8080 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 1.4247 3.6006 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8127 1.3776 -2.6906 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.8579 -2.2293 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 -0.8861 -2.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 2.0276 2.3565 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9102 1.6907 1.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8628 3.1813 -1.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -0.6652 2.1072 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0463 -0.2728 2.2258 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1689 -0.8854 3.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7443 -1.3280 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 0.4419 1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 1.1246 2.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 -1.6161 4.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 -1.8291 4.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 3.4358 2.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 0.1002 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7561 4.3230 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 4.0094 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 0.9034 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 -1.0215 0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5586 4.8734 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8258 4.5833 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5937 0.5850 -1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1558 -1.3400 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 -0.5367 -1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 2.8886 -2.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 1.4136 -2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0864 0.4612 -1.7637 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2804 0.6134 -0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9541 2.5048 -2.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -1.6347 -1.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -2.0205 -1.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 0.5083 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0979 -2.8161 -1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4512 0.7167 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9368 -3.5567 -0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 -1.1898 -2.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7189 0.9730 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3515 -3.2787 -0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -3.0941 -1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 -1.9182 -2.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 -4.7381 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4588 -4.4545 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -5.1829 0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 -1.5966 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 -0.1947 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0924 -1.4619 3.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 0.0688 3.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 -0.9323 3.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 -2.1898 2.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 -1.9919 5.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 -2.3881 4.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 3.6328 3.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 3.6657 3.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 5.3725 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 4.2029 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 4.1794 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 2.9513 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9105 1.7576 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3281 4.6954 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 5.9343 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9772 -1.6746 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7029 4.8288 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 5.2327 -2.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 -2.2259 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 2.9573 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 3.1372 -1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 3.4962 -3.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9885 1.2256 -3.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 1.1913 -3.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 0.6640 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 3.0221 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 3.2187 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9133 2.2007 -3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9230 -2.1252 -2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5524 -2.9275 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7038 -1.9094 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9869 0.2905 -2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5326 0.6800 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 -0.2843 -2.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0927 1.1661 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2639 -2.7347 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2232 -3.6460 -1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 -1.5719 -2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1844 -5.3229 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4343 -4.8014 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4012 -6.0980 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 40 1 0 0 0 0 2 14 2 0 0 0 0 3 25 1 0 0 0 0 3 32 1 0 0 0 0 4 27 1 0 0 0 0 4 34 1 0 0 0 0 5 30 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 13 2 0 0 0 0 8 24 1 0 0 0 0 8 28 1 0 0 0 0 8 68 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 47 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 48 1 0 0 0 0 11 15 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 16 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 18 1 0 0 0 0 15 16 2 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 23 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 25 1 0 0 0 0 21 61 1 0 0 0 0 22 26 2 0 0 0 0 22 64 1 0 0 0 0 23 24 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 67 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 31 1 0 0 0 0 30 73 1 0 0 0 0 31 35 2 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 36 1 0 0 0 0 33 39 2 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 37 1 0 0 0 0 35 80 1 0 0 0 0 36 38 1 0 0 0 0 36 41 2 0 0 0 0 37 40 2 0 0 0 0 37 81 1 0 0 0 0 38 42 1 0 0 0 0 38 44 2 0 0 0 0 39 43 1 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 41 45 1 0 0 0 0 41 84 1 0 0 0 0 42 43 2 0 0 0 0 42 85 1 0 0 0 0 43 86 1 0 0 0 0 44 46 1 0 0 0 0 44 87 1 0 0 0 0 45 46 2 0 0 0 0 45 88 1 0 0 0 0 46 89 1 0 0 0 0 M END $$$$