@MOLECULE FDBD00672 53 56 0 0 0 SMALL USER_CHARGES @ATOM 1 O 5.7198 -0.3918 -2.1529 O.3 1 UNK -0.3835 2 N 2.0411 -1.1508 -0.9601 N.4 1 UNK 0.2353 3 C 4.9892 0.7673 -0.1613 C.3 1 UNK -0.0010 4 C1 4.8527 0.7979 1.3785 C.3 1 UNK -0.0166 5 C2 2.8840 1.7014 0.5994 C.3 1 UNK -0.0220 6 C3 3.6247 1.2727 -0.6888 C.3 1 UNK -0.0404 7 C4 4.0657 2.1137 1.4964 C.3 1 UNK -0.0401 8 C5 5.4560 -0.5818 -0.7583 C.3 1 UNK 0.0991 9 C6 3.7183 -0.1151 1.7523 C.2 1 UNK -0.0842 10 C7 2.5769 0.4128 1.3073 C.2 1 UNK -0.0845 11 C8 4.4084 -1.7070 -0.5962 C.3 1 UNK 0.0208 12 C9 6.7542 -0.9925 -0.0604 C.ar 1 UNK -0.0157 13 C10 3.2726 -1.5864 -1.6315 C.3 1 UNK -0.0289 14 C11 7.9892 -0.6106 -0.5925 C.ar 1 UNK -0.0558 15 C12 6.7153 -1.7508 1.1137 C.ar 1 UNK -0.0558 16 C13 1.1312 -0.5139 -1.9246 C.3 1 UNK -0.0319 17 C14 1.3863 -2.2837 -0.2866 C.3 1 UNK -0.0319 18 C15 -0.0696 0.0850 -1.1660 C.3 1 UNK -0.0123 19 C16 0.1906 -1.7647 0.5366 C.3 1 UNK -0.0123 20 C17 -0.7978 -1.0342 -0.3947 C.3 1 UNK -0.0434 21 C18 9.1762 -0.9776 0.0465 C.ar 1 UNK -0.0614 22 C19 7.9004 -2.1182 1.7558 C.ar 1 UNK -0.0614 23 C20 9.1322 -1.7307 1.2224 C.ar 1 UNK -0.0617 24 H 4.9017 -0.1310 -2.6041 H 1 UNK 0.2106 25 H1 2.2856 -0.4625 -0.2482 H 1 UNK 0.2033 26 H2 5.7910 1.3979 -0.4844 H 1 UNK 0.0338 27 H3 5.7697 0.6200 1.9005 H 1 UNK 0.0347 28 H4 2.0724 2.3771 0.4273 H 1 UNK 0.0343 29 H5 3.0955 0.4917 -1.1937 H 1 UNK 0.0275 30 H6 3.7181 2.0647 -1.4022 H 1 UNK 0.0275 31 H7 4.6052 2.9506 1.1048 H 1 UNK 0.0277 32 H8 3.8258 2.4430 2.4858 H 1 UNK 0.0277 33 H9 3.8079 -1.0043 2.2684 H 1 UNK 0.0572 34 H10 1.6375 0.0032 1.4293 H 1 UNK 0.0572 35 H11 3.9886 -1.6503 0.3864 H 1 UNK 0.0348 36 H12 4.9009 -2.6442 -0.7510 H 1 UNK 0.0348 37 H13 3.5448 -0.8692 -2.3774 H 1 UNK 0.0815 38 H14 3.1092 -2.5376 -2.0935 H 1 UNK 0.0815 39 H15 8.0243 -0.0549 -1.4614 H 1 UNK 0.0621 40 H16 5.8066 -2.0405 1.5079 H 1 UNK 0.0621 41 H17 0.7841 -1.2440 -2.6256 H 1 UNK 0.0814 42 H18 1.6484 0.2614 -2.4502 H 1 UNK 0.0814 43 H19 2.0859 -2.7657 0.3639 H 1 UNK 0.0814 44 H20 1.0411 -2.9846 -1.0177 H 1 UNK 0.0814 45 H21 -0.7444 0.5350 -1.8639 H 1 UNK 0.0317 46 H22 0.2767 0.8269 -0.4771 H 1 UNK 0.0317 47 H23 0.5415 -1.0866 1.2863 H 1 UNK 0.0317 48 H24 -0.3045 -2.5897 1.0047 H 1 UNK 0.0317 49 H25 -1.2105 -1.7336 -1.0914 H 1 UNK 0.0269 50 H26 -1.5801 -0.6024 0.1939 H 1 UNK 0.0269 51 H27 10.0853 -0.6924 -0.3500 H 1 UNK 0.0618 52 H28 7.8660 -2.6755 2.6237 H 1 UNK 0.0618 53 H29 10.0084 -2.0004 1.6964 H 1 UNK 0.0618 @BOND 1 8 1 1 2 13 2 1 3 2 16 1 4 2 17 1 5 3 4 1 6 3 6 1 7 8 3 1 8 4 7 1 9 4 9 1 10 6 5 1 11 5 7 1 12 5 10 1 13 11 8 1 14 8 12 1 15 9 10 2 16 11 13 1 17 12 14 ar 18 12 15 ar 19 14 21 ar 20 15 22 ar 21 16 18 1 22 17 19 1 23 18 20 1 24 19 20 1 25 21 23 ar 26 22 23 ar 27 1 24 1 28 2 25 1 29 3 26 1 30 4 27 1 31 5 28 1 32 6 29 1 33 6 30 1 34 7 31 1 35 7 32 1 36 9 33 1 37 10 34 1 38 11 35 1 39 11 36 1 40 13 37 1 41 13 38 1 42 14 39 1 43 15 40 1 44 16 41 1 45 16 42 1 46 17 43 1 47 17 44 1 48 18 45 1 49 18 46 1 50 19 47 1 51 19 48 1 52 20 49 1 53 20 50 1 54 21 51 1 55 22 52 1 56 23 53 1