B8TI3E -OEChem-04042107373D 52 54 0 1 0 0 0 0 0999 V2000 2.4335 -1.9859 -0.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.8546 -0.1602 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -0.4555 1.9988 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -2.2427 1.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5434 -3.1210 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 1.4436 -0.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 -1.0488 0.4347 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 3.6477 0.2586 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -0.8317 -0.5078 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 0.6687 2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 -0.6744 1.5475 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2329 1.8496 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 2.3400 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 3.4685 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6421 -2.7538 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8624 2.6742 1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5961 -0.6494 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 1.9311 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2982 -1.5524 -0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2223 -0.0371 -1.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 -1.8011 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 4.2113 -1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6908 -2.0362 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -2.8476 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3455 -4.1439 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8987 -1.9702 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7839 0.3201 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 2.6645 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 3.7868 -1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 0.8527 3.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 0.5655 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -1.4601 2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8281 2.6575 1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4551 -0.7330 -0.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 4.3905 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 1.0630 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9842 -1.8129 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6104 -2.0580 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4949 0.2433 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8688 0.4896 -0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 5.0851 -1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -2.4427 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -2.1301 1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -0.9645 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0259 -3.4232 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 -3.3198 -2.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 -1.8488 -2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 -4.5426 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1512 -4.8407 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -4.1869 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 2.3541 -1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3204 4.3418 -2.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 17 2 0 0 0 0 4 21 2 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 7 34 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 35 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 17 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 22 2 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 33 1 0 0 0 0 18 28 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 27 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 22 29 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$