@MOLECULE FDBD01548 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9947 -3.0822 -1.1487 O.3 1 UNK -0.3891 2 O1 -5.8225 -0.7507 2.3133 O.3 1 UNK -0.3891 3 N -6.0910 -0.3993 -1.3526 N.4 1 UNK 0.2262 4 C -5.5099 -0.9082 -0.1014 C.3 1 UNK 0.0338 5 C1 -4.0042 -0.5298 -0.0449 C.3 1 UNK 0.0014 6 C2 -3.6890 0.9791 -0.1123 C.3 1 UNK -0.0222 7 C3 -5.6623 -2.4486 -0.0636 C.3 1 UNK 0.0917 8 C4 -6.3178 -0.2941 1.0603 C.3 1 UNK 0.0917 9 C5 4.3113 0.9324 -0.0287 C.3 1 UNK -0.0528 10 C6 2.7985 0.7056 -0.1090 C.3 1 UNK -0.0491 11 C7 5.1703 -0.3306 0.0875 C.3 1 UNK -0.0530 12 C8 -2.2214 1.2439 -0.1264 C.ar 1 UNK -0.0471 13 C9 1.9913 2.0049 -0.1659 C.3 1 UNK -0.0277 14 C10 6.6741 -0.0487 0.0774 C.3 1 UNK -0.0531 15 C11 0.5075 1.7362 -0.1519 C.ar 1 UNK -0.0473 16 C12 7.4814 -1.3486 0.1051 C.3 1 UNK -0.0533 17 C13 -1.5365 1.3145 -1.3396 C.ar 1 UNK -0.0583 18 C14 -1.5335 1.4211 1.0741 C.ar 1 UNK -0.0583 19 C15 -0.1639 1.5620 -1.3524 C.ar 1 UNK -0.0583 20 C16 -0.1608 1.6688 1.0612 C.ar 1 UNK -0.0583 21 C17 8.9841 -1.0696 0.1283 C.3 1 UNK -0.0559 22 C18 9.7890 -2.3580 0.1904 C.3 1 UNK -0.0653 23 H -5.1155 -4.0426 -1.0862 H 1 UNK 0.2097 24 H1 -6.3421 -0.3545 3.0302 H 1 UNK 0.2097 25 H2 -5.5802 -0.7856 -2.1465 H 1 UNK 0.2001 26 H3 -6.0253 0.6185 -1.3687 H 1 UNK 0.2001 27 H4 -7.0706 -0.6777 -1.4105 H 1 UNK 0.2001 28 H5 -3.5150 -1.0047 -0.8696 H 1 UNK 0.0327 29 H6 -3.6577 -0.8570 0.9131 H 1 UNK 0.0327 30 H7 -4.1185 1.4601 0.7416 H 1 UNK 0.0315 31 H8 -4.1025 1.3625 -1.0217 H 1 UNK 0.0315 32 H9 -5.2505 -2.8131 0.8543 H 1 UNK 0.0617 33 H10 -6.7047 -2.6773 -0.1411 H 1 UNK 0.0617 34 H11 -6.2382 0.7721 1.0185 H 1 UNK 0.0617 35 H12 -7.3405 -0.5939 0.9646 H 1 UNK 0.0617 36 H13 4.5066 1.5421 0.8286 H 1 UNK 0.0265 37 H14 4.5865 1.3861 -0.9578 H 1 UNK 0.0265 38 H15 2.4920 0.1534 0.7547 H 1 UNK 0.0268 39 H16 2.6065 0.1743 -1.0177 H 1 UNK 0.0268 40 H17 4.9406 -0.9734 -0.7365 H 1 UNK 0.0265 41 H18 4.9409 -0.7817 1.0302 H 1 UNK 0.0265 42 H19 2.2409 2.5300 -1.0642 H 1 UNK 0.0313 43 H20 2.2344 2.5886 0.6973 H 1 UNK 0.0313 44 H21 6.9252 0.5364 0.9373 H 1 UNK 0.0265 45 H22 6.9136 0.4796 -0.8217 H 1 UNK 0.0265 46 H23 7.2471 -1.9229 -0.7668 H 1 UNK 0.0265 47 H24 7.2243 -1.8866 0.9936 H 1 UNK 0.0265 48 H25 -2.0455 1.1836 -2.2278 H 1 UNK 0.0620 49 H26 -2.0401 1.3689 1.9717 H 1 UNK 0.0620 50 H27 0.3473 1.6150 -2.2473 H 1 UNK 0.0620 51 H28 0.3528 1.8007 1.9466 H 1 UNK 0.0620 52 H29 9.2140 -0.4742 0.9871 H 1 UNK 0.0263 53 H30 9.2439 -0.5545 -0.7728 H 1 UNK 0.0263 54 H31 9.5433 -2.8892 1.0861 H 1 UNK 0.0230 55 H32 10.8336 -2.1264 0.1882 H 1 UNK 0.0230 56 H33 9.5565 -2.9651 -0.6595 H 1 UNK 0.0230 @BOND 1 1 7 1 2 2 8 1 3 3 4 1 4 4 5 1 5 4 7 1 6 4 8 1 7 5 6 1 8 6 12 1 9 9 10 1 10 9 11 1 11 10 13 1 12 11 14 1 13 12 17 ar 14 12 18 ar 15 13 15 1 16 14 16 1 17 15 19 ar 18 15 20 ar 19 16 21 1 20 17 19 ar 21 18 20 ar 22 21 22 1 23 1 23 1 24 2 24 1 25 3 25 1 26 3 26 1 27 3 27 1 28 5 28 1 29 5 29 1 30 6 30 1 31 6 31 1 32 7 32 1 33 7 33 1 34 8 34 1 35 8 35 1 36 9 36 1 37 9 37 1 38 10 38 1 39 10 39 1 40 11 40 1 41 11 41 1 42 13 42 1 43 13 43 1 44 14 44 1 45 14 45 1 46 16 46 1 47 16 47 1 48 17 48 1 49 18 49 1 50 19 50 1 51 20 51 1 52 21 52 1 53 21 53 1 54 22 54 1 55 22 55 1 56 22 56 1