@MOLECULE FDBD00049 51 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.6409 1.1211 -2.5384 O.co2 1 UNK -0.5498 2 O1 4.4305 0.6005 -0.4663 O.co2 1 UNK -0.5498 3 C 2.3944 -1.4274 -0.2127 C.3 1 UNK -0.0445 4 C1 1.5601 -2.7117 -0.2955 C.3 1 UNK -0.0344 5 C2 2.8673 -0.8862 -1.5614 C.3 1 UNK -0.0129 6 C3 1.1570 -3.2337 1.0524 C.2 1 UNK -0.0876 7 C4 -1.0564 -2.0521 1.0336 C.3 1 UNK -0.0165 8 C5 -0.0102 -2.9383 1.6432 C.2 1 UNK -0.0842 9 C6 -2.0260 -2.8510 0.2126 C.2 1 UNK -0.0839 10 C7 -2.5056 -0.9685 -1.3680 C.3 1 UNK -0.0165 11 C8 3.7293 0.3409 -1.4338 C.2 1 UNK 0.0418 12 C9 -2.6740 -2.3704 -0.8592 C.2 1 UNK -0.0839 13 C10 -3.0594 1.6359 0.0267 C.3 1 UNK -0.0165 14 C11 -3.8219 -0.2516 -1.4327 C.2 1 UNK -0.0839 15 C12 0.0677 1.9394 -0.3776 C.3 1 UNK -0.0165 16 C13 -4.0711 0.9109 -0.8110 C.2 1 UNK -0.0839 17 C14 -2.3405 2.6864 -0.7684 C.2 1 UNK -0.0839 18 C15 -1.0149 2.8169 -0.9363 C.2 1 UNK -0.0839 19 C16 0.9373 2.6904 0.5882 C.2 1 UNK -0.0842 20 C17 0.2410 1.3063 2.5594 C.3 1 UNK -0.0376 21 C18 1.0138 2.4072 1.8970 C.2 1 UNK -0.0879 22 C19 0.5406 1.2350 4.0483 C.3 1 UNK -0.0618 23 H 3.2574 -1.6284 0.3871 H 1 UNK 0.0272 24 H1 1.7559 -0.6783 0.2069 H 1 UNK 0.0272 25 H2 2.1373 -3.4623 -0.7937 H 1 UNK 0.0307 26 H3 0.6635 -2.4784 -0.8309 H 1 UNK 0.0307 27 H4 2.0083 -0.6397 -2.1499 H 1 UNK 0.0325 28 H5 3.4616 -1.6481 -2.0211 H 1 UNK 0.0325 29 H6 1.8136 -3.8537 1.5519 H 1 UNK 0.0569 30 H7 -0.5796 -1.3285 0.4060 H 1 UNK 0.0350 31 H8 -1.5947 -1.5682 1.8216 H 1 UNK 0.0350 32 H9 -0.2001 -3.3448 2.5726 H 1 UNK 0.0572 33 H10 -2.2050 -3.8290 0.4892 H 1 UNK 0.0572 34 H11 -2.0783 -1.0023 -2.3484 H 1 UNK 0.0350 35 H12 -1.8647 -0.4389 -0.6944 H 1 UNK 0.0350 36 H13 -3.3224 -2.9977 -1.3603 H 1 UNK 0.0572 37 H14 -2.3452 0.9308 0.3976 H 1 UNK 0.0350 38 H15 -3.5728 2.1169 0.8329 H 1 UNK 0.0350 39 H16 -4.5802 -0.6777 -1.9880 H 1 UNK 0.0572 40 H17 0.6729 1.5779 -1.1825 H 1 UNK 0.0350 41 H18 -0.3931 1.1275 0.1452 H 1 UNK 0.0350 42 H19 -5.0090 1.3288 -0.9146 H 1 UNK 0.0572 43 H20 -2.9325 3.3882 -1.2396 H 1 UNK 0.0572 44 H21 -0.7043 3.6120 -1.5162 H 1 UNK 0.0572 45 H22 1.5088 3.4689 0.2245 H 1 UNK 0.0572 46 H23 0.5057 0.3739 2.1062 H 1 UNK 0.0305 47 H24 -0.8028 1.5064 2.4356 H 1 UNK 0.0305 48 H25 1.6413 2.9806 2.4823 H 1 UNK 0.0569 49 H26 1.5817 1.0352 4.1934 H 1 UNK 0.0233 50 H27 -0.0381 0.4517 4.4915 H 1 UNK 0.0233 51 H28 0.2890 2.1680 4.5078 H 1 UNK 0.0233 @BOND 1 1 11 ar 2 2 11 ar 3 3 4 1 4 3 5 1 5 4 6 1 6 5 11 1 7 6 8 2 8 7 8 1 9 7 9 1 10 9 12 2 11 10 12 1 12 10 14 1 13 13 16 1 14 13 17 1 15 14 16 2 16 15 18 1 17 15 19 1 18 17 18 2 19 19 21 2 20 20 21 1 21 20 22 1 22 3 23 1 23 3 24 1 24 4 25 1 25 4 26 1 26 5 27 1 27 5 28 1 28 6 29 1 29 7 30 1 30 7 31 1 31 8 32 1 32 9 33 1 33 10 34 1 34 10 35 1 35 12 36 1 36 13 37 1 37 13 38 1 38 14 39 1 39 15 40 1 40 15 41 1 41 16 42 1 42 17 43 1 43 18 44 1 44 19 45 1 45 20 46 1 46 20 47 1 47 21 48 1 48 22 49 1 49 22 50 1 50 22 51 1