B85SMR -OEChem-04042105413D 60 63 0 0 0 0 0 0 0999 V2000 -2.0602 -1.6645 -0.6051 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4269 2.8653 -1.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3166 1.9592 0.8238 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -0.6604 -0.0626 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2416 -0.1749 0.4341 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 -0.5722 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3253 -1.3375 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 0.5590 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7307 -1.7968 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 0.0372 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -0.0308 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2413 -1.1366 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9156 -1.1080 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 -0.5937 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 0.0093 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1998 0.8117 1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 0.2417 -1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3638 -1.3498 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1286 1.8468 1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 1.2768 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1965 0.2341 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8557 -0.0823 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9945 -0.7314 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 -2.2937 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7757 2.0794 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5167 -2.0026 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0077 1.3877 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2593 1.1055 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3713 -0.8472 1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4008 1.9685 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -1.2605 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 -0.7026 -1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 -2.2184 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1345 1.0405 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6427 1.3320 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1806 -2.2848 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 -2.5492 0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -0.6208 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5543 0.9121 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 0.7319 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 0.4650 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 -1.9207 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 -1.6309 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2339 -1.8962 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9702 -1.5738 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 -0.1486 -1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 0.1779 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7187 0.6335 2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3532 -0.3745 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3511 2.4691 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9975 1.4582 -2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 0.6637 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 -3.2738 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4994 2.8848 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1396 -2.7470 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6982 2.3214 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4966 -0.4548 2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2630 -0.6602 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2036 -1.9247 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2185 3.4433 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 30 1 0 0 0 0 2 60 1 0 0 0 0 3 30 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 17 20 2 0 0 0 0 17 49 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 19 50 1 0 0 0 0 20 25 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 27 1 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END $$$$