@MOLECULE FDBD01300 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1436 -1.8775 -0.9691 O.3 1 UNK -0.3912 2 O1 5.8351 -1.3786 -2.1474 O.3 1 UNK -0.3918 3 O2 -7.3063 -0.9715 0.9957 O.co2 1 UNK -0.5498 4 O3 -6.3646 1.0617 0.6271 O.co2 1 UNK -0.5498 5 C -0.9963 0.0839 0.2091 C.3 1 UNK 0.0000 6 C1 -0.0138 1.0334 -0.5170 C.3 1 UNK -0.0299 7 C2 1.3080 1.2189 0.2392 C.3 1 UNK -0.0342 8 C3 1.9962 -0.1746 0.4080 C.3 1 UNK -0.0299 9 C4 3.3876 -0.0593 1.1393 C.3 1 UNK -0.0259 10 C5 -2.1965 0.1908 -0.7690 C.3 1 UNK -0.0304 11 C6 -0.3382 -1.3063 0.3251 C.3 1 UNK 0.0614 12 C7 1.0302 -1.2205 1.0354 C.3 1 UNK -0.0227 13 C8 4.2908 0.9710 0.3806 C.3 1 UNK -0.0330 14 C9 -0.8618 2.2653 -0.8262 C.3 1 UNK -0.0491 15 C10 2.2279 2.2114 -0.4841 C.3 1 UNK -0.0494 16 C11 -2.2660 1.6989 -1.1034 C.3 1 UNK -0.0491 17 C12 3.5928 2.3273 0.1874 C.3 1 UNK -0.0494 18 C13 4.1406 -1.4203 1.2042 C.3 1 UNK -0.0448 19 C14 -1.3987 0.5715 1.6272 C.3 1 UNK -0.0567 20 C15 -3.5231 -0.3694 -0.2764 C.3 1 UNK -0.0401 21 C16 4.7968 0.4347 -0.9755 C.3 1 UNK -0.0235 22 C17 3.2080 0.4013 2.6094 C.3 1 UNK -0.0590 23 C18 4.6068 -1.9361 -0.1512 C.3 1 UNK -0.0263 24 C19 5.4974 -0.9132 -0.8449 C.3 1 UNK 0.0555 25 C20 -4.6199 -0.1495 -1.3384 C.3 1 UNK -0.0451 26 C21 -3.3650 -1.8491 0.0889 C.3 1 UNK -0.0621 27 C22 -5.9757 -0.7470 -0.9568 C.3 1 UNK -0.0130 28 C23 -6.5488 -0.0974 0.2827 C.2 1 UNK 0.0418 29 H -0.9963 -1.9376 -1.4275 H 1 UNK 0.2098 30 H1 6.4021 -0.7258 -2.5871 H 1 UNK 0.2098 31 H2 0.3834 0.6540 -1.4353 H 1 UNK 0.0310 32 H3 1.1070 1.6314 1.2058 H 1 UNK 0.0306 33 H4 2.2252 -0.5501 -0.5674 H 1 UNK 0.0310 34 H5 -2.0307 -0.4324 -1.6229 H 1 UNK 0.0310 35 H6 -0.9968 -1.9218 0.9016 H 1 UNK 0.0599 36 H7 0.8636 -0.9554 2.0586 H 1 UNK 0.0293 37 H8 1.4965 -2.1780 0.9324 H 1 UNK 0.0293 38 H9 5.1427 1.1203 1.0106 H 1 UNK 0.0307 39 H10 -0.4841 2.7799 -1.6849 H 1 UNK 0.0268 40 H11 -0.8577 2.9763 -0.0266 H 1 UNK 0.0268 41 H12 1.7619 3.1746 -0.4859 H 1 UNK 0.0268 42 H13 2.3814 1.8510 -1.4798 H 1 UNK 0.0268 43 H14 -2.9906 2.1834 -0.4828 H 1 UNK 0.0268 44 H15 -2.5576 1.8598 -2.1202 H 1 UNK 0.0268 45 H16 4.2184 2.9482 -0.4192 H 1 UNK 0.0268 46 H17 3.4339 2.7442 1.1600 H 1 UNK 0.0268 47 H18 3.4839 -2.1480 1.6333 H 1 UNK 0.0271 48 H19 5.0194 -1.2599 1.7932 H 1 UNK 0.0271 49 H20 -1.8564 1.5360 1.5562 H 1 UNK 0.0236 50 H21 -0.5262 0.6352 2.2434 H 1 UNK 0.0236 51 H22 -2.0908 -0.1207 2.0594 H 1 UNK 0.0236 52 H23 -3.8247 0.1510 0.6085 H 1 UNK 0.0301 53 H24 5.4861 1.1413 -1.3884 H 1 UNK 0.0293 54 H25 3.9458 0.2990 -1.6097 H 1 UNK 0.0293 55 H26 2.6926 1.3388 2.6290 H 1 UNK 0.0235 56 H27 4.1682 0.5126 3.0681 H 1 UNK 0.0235 57 H28 2.6393 -0.3297 3.1452 H 1 UNK 0.0235 58 H29 3.7522 -2.1301 -0.7651 H 1 UNK 0.0290 59 H30 5.1699 -2.8333 -0.0004 H 1 UNK 0.0290 60 H31 6.3780 -0.7885 -0.2500 H 1 UNK 0.0593 61 H32 -4.2982 -0.5998 -2.2542 H 1 UNK 0.0271 62 H33 -4.7590 0.9075 -1.4293 H 1 UNK 0.0271 63 H34 -3.0629 -2.4000 -0.7772 H 1 UNK 0.0233 64 H35 -4.2989 -2.2301 0.4460 H 1 UNK 0.0233 65 H36 -2.6228 -1.9505 0.8530 H 1 UNK 0.0233 66 H37 -5.8532 -1.7940 -0.7736 H 1 UNK 0.0325 67 H38 -6.6541 -0.5741 -1.7660 H 1 UNK 0.0325 @BOND 1 1 11 1 2 2 24 1 3 3 28 ar 4 4 28 ar 5 5 6 1 6 5 10 1 7 5 11 1 8 5 19 1 9 6 7 1 10 6 14 1 11 7 8 1 12 7 15 1 13 8 9 1 14 8 12 1 15 9 13 1 16 9 18 1 17 9 22 1 18 10 16 1 19 10 20 1 20 11 12 1 21 13 17 1 22 13 21 1 23 14 16 1 24 15 17 1 25 18 23 1 26 20 25 1 27 20 26 1 28 21 24 1 29 23 24 1 30 25 27 1 31 27 28 1 32 1 29 1 33 2 30 1 34 6 31 1 35 7 32 1 36 8 33 1 37 10 34 1 38 11 35 1 39 12 36 1 40 12 37 1 41 13 38 1 42 14 39 1 43 14 40 1 44 15 41 1 45 15 42 1 46 16 43 1 47 16 44 1 48 17 45 1 49 17 46 1 50 18 47 1 51 18 48 1 52 19 49 1 53 19 50 1 54 19 51 1 55 20 52 1 56 21 53 1 57 21 54 1 58 22 55 1 59 22 56 1 60 22 57 1 61 23 58 1 62 23 59 1 63 24 60 1 64 25 61 1 65 25 62 1 66 26 63 1 67 26 64 1 68 26 65 1 69 27 66 1 70 27 67 1