B0XYM1 -OEChem-04012112213D 85 89 0 1 0 0 0 0 0999 V2000 3.9689 0.0625 0.8164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4745 -0.5504 -1.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 3.3805 -0.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 2.3380 2.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 1.1624 -2.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0277 0.9186 4.0524 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0346 0.2298 3.1869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 0.5657 -2.4377 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 -5.7367 0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4592 -4.2277 0.8436 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1898 4.1904 -0.8309 N 0 0 3 0 0 0 0 0 0 0 0 0 -5.7494 4.7878 0.9630 N 0 0 1 0 0 0 0 0 0 0 0 0 0.7407 -0.8357 -0.8535 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2449 -3.4246 -0.2572 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8887 2.0079 -0.0695 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3885 1.9546 1.3744 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9045 1.3337 -1.0259 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9392 0.5449 1.7386 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4842 -0.0422 -0.5085 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8215 5.5514 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 6.3633 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5956 3.8673 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6493 5.6733 1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 3.5756 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2088 0.5361 3.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 3.2334 -1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -1.7814 -1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5482 4.4120 2.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6088 -1.9546 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 1.8859 -0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 3.6263 -1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8289 -2.8776 -1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1938 1.3240 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 0.9313 -0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 2.6716 -1.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -3.2243 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 0.3284 -1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 -4.1474 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 -4.3207 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 -4.6263 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 -4.5217 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0148 -5.4374 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -3.5076 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3923 -5.3391 1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4609 -3.4092 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 -4.3250 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1364 -3.1672 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8845 1.5572 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 2.6749 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 1.9705 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7698 -0.1684 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3497 -0.7174 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 5.5147 0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 6.0995 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6905 6.6572 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 7.3046 0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0946 4.6772 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6908 2.9987 -1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0709 6.4777 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 5.1458 2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 2.9555 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1981 2.9842 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 3.8050 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 1.7025 2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 0.5970 -2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9615 3.8492 2.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9569 5.3019 2.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4087 3.8018 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 1.5388 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 4.6640 -1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 -2.7693 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5657 0.9210 4.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -0.1060 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0516 2.9993 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0928 -0.9538 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0041 -5.0010 -0.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 -5.3359 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 -2.5843 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 -6.2314 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 -2.7966 -1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8966 -6.0542 1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9624 -2.6027 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1959 -3.2396 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0728 -3.2752 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 -2.1865 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 15 1 0 0 0 0 3 63 1 0 0 0 0 4 16 1 0 0 0 0 4 64 1 0 0 0 0 5 17 1 0 0 0 0 5 65 1 0 0 0 0 6 25 1 0 0 0 0 6 72 1 0 0 0 0 7 25 2 0 0 0 0 8 37 2 0 0 0 0 9 40 2 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 11 26 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 37 1 0 0 0 0 13 75 1 0 0 0 0 14 36 1 0 0 0 0 14 40 1 0 0 0 0 14 78 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 18 25 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 32 2 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 36 2 0 0 0 0 30 34 1 0 0 0 0 30 69 1 0 0 0 0 31 35 2 0 0 0 0 31 70 1 0 0 0 0 32 38 1 0 0 0 0 32 71 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 36 39 1 0 0 0 0 38 39 2 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 79 1 0 0 0 0 43 45 2 0 0 0 0 43 80 1 0 0 0 0 44 46 2 0 0 0 0 44 81 1 0 0 0 0 45 46 1 0 0 0 0 45 82 1 0 0 0 0 47 83 1 0 0 0 0 47 84 1 0 0 0 0 47 85 1 0 0 0 0 M END $$$$