@MOLECULE 11-((5-dimethylaminonaphthalene-1-sulfonyl) amino)undecanoic acid 64 65 0 0 0 SMALL USER_CHARGES @ATOM 1 S 4.5379 -0.5005 -0.3039 S.O2 1 UNL11111111 2.3570 2 O 5.4785 -0.0566 0.7034 O.2 1 UNL11111111 -0.9306 3 O 4.8523 -1.6021 -1.1860 O.2 1 UNL11111111 -0.9064 4 O -8.3647 0.6111 -0.5217 O.3 1 UNL11111111 -0.5746 5 O -6.8408 -0.9969 -0.3042 O.2 1 UNL11111111 -0.5150 6 N 4.2393 0.8217 -1.3854 N.3 1 UNL11111111 -0.8776 7 N -1.6777 -2.1607 0.7232 N.pl3 1 UNL11111111 -0.4039 8 C 0.1116 2.2448 0.3285 C.3 1 UNL11111111 -0.2779 9 C 1.0567 3.3951 0.6995 C.3 1 UNL11111111 -0.2731 10 C -1.3472 2.7102 0.3645 C.3 1 UNL11111111 -0.2784 11 C 2.5251 2.9556 0.6269 C.3 1 UNL11111111 -0.2695 12 C -2.2964 1.5518 0.0370 C.3 1 UNL11111111 -0.2742 13 C 3.0198 2.8844 -0.8215 C.3 1 UNL11111111 -0.2886 14 C -3.7508 2.0413 0.0301 C.3 1 UNL11111111 -0.2639 15 C 4.4056 2.2091 -0.9229 C.3 1 UNL11111111 -0.0563 16 C -4.7097 0.8689 -0.1953 C.3 1 UNL11111111 -0.2559 17 C 2.9940 -0.7530 0.5077 C.ar 1 UNL11111111 -0.3951 18 C 1.8401 -1.2321 -0.1764 C.ar 1 UNL11111111 0.0903 19 C -6.1629 1.3488 -0.2365 C.3 1 UNL11111111 -0.3482 20 C 0.6422 -1.4067 0.5621 C.ar 1 UNL11111111 -0.0893 21 C -0.5188 -1.9504 -0.0904 C.ar 1 UNL11111111 0.1792 22 C 2.9368 -0.4433 1.8465 C.ar 1 UNL11111111 -0.0431 23 C 1.8300 -1.5305 -1.5681 C.ar 1 UNL11111111 -0.2037 24 C 0.5990 -1.0156 1.9263 C.ar 1 UNL11111111 -0.0735 25 C 1.7233 -0.5525 2.5604 C.ar 1 UNL11111111 -0.2167 26 C -0.4952 -2.1933 -1.4471 C.ar 1 UNL11111111 -0.2732 27 C 0.6871 -1.9674 -2.1841 C.ar 1 UNL11111111 -0.0863 28 C -7.0852 0.1798 -0.3500 C.2 1 UNL11111111 0.6505 29 C -1.5438 -3.3667 1.5743 C.3 1 UNL11111111 -0.2637 30 C -2.9535 -2.1904 -0.0193 C.3 1 UNL11111111 -0.2705 31 H 0.2587 1.3938 1.0218 H 1 UNL11111111 0.1449 32 H 0.3620 1.8504 -0.6745 H 1 UNL11111111 0.1439 33 H 0.8841 4.2602 0.0336 H 1 UNL11111111 0.1331 34 H 0.8250 3.7507 1.7209 H 1 UNL11111111 0.1303 35 H -1.4960 3.5375 -0.3542 H 1 UNL11111111 0.1350 36 H -1.5866 3.1237 1.3621 H 1 UNL11111111 0.1357 37 H 2.6399 1.9711 1.1205 H 1 UNL11111111 0.1465 38 H 3.1546 3.6569 1.2053 H 1 UNL11111111 0.1285 39 H -2.0337 1.1104 -0.9420 H 1 UNL11111111 0.1378 40 H -2.1663 0.7344 0.7744 H 1 UNL11111111 0.1514 41 H 3.0626 3.8983 -1.2550 H 1 UNL11111111 0.1287 42 H 2.2906 2.3256 -1.4437 H 1 UNL11111111 0.1623 43 H -3.8859 2.8065 -0.7570 H 1 UNL11111111 0.1350 44 H -3.9819 2.5435 0.9885 H 1 UNL11111111 0.1359 45 H 5.0450 2.7723 -1.6377 H 1 UNL11111111 0.1200 46 H 4.9386 2.2609 0.0545 H 1 UNL11111111 0.1528 47 H -4.5818 0.1157 0.6102 H 1 UNL11111111 0.1566 48 H -4.4585 0.3441 -1.1383 H 1 UNL11111111 0.1473 49 H 4.5208 0.6775 -2.3482 H 1 UNL11111111 0.3047 50 H -6.4141 1.9358 0.6743 H 1 UNL11111111 0.1808 51 H -6.3268 2.0509 -1.0830 H 1 UNL11111111 0.1813 52 H 3.8232 -0.0951 2.3969 H 1 UNL11111111 0.1801 53 H 2.7417 -1.4258 -2.1614 H 1 UNL11111111 0.1866 54 H -0.3543 -1.0743 2.4600 H 1 UNL11111111 0.1698 55 H 1.6943 -0.2596 3.6075 H 1 UNL11111111 0.1575 56 H -1.3635 -2.5861 -1.9690 H 1 UNL11111111 0.1620 57 H 0.6813 -2.1731 -3.2553 H 1 UNL11111111 0.1521 58 H -2.3229 -3.3291 2.3553 H 1 UNL11111111 0.1548 59 H -0.5630 -3.3786 2.0764 H 1 UNL11111111 0.1479 60 H -1.6471 -4.3110 1.0164 H 1 UNL11111111 0.1320 61 H -3.7805 -2.1213 0.7109 H 1 UNL11111111 0.1587 62 H -3.1115 -3.0953 -0.6258 H 1 UNL11111111 0.1306 63 H -3.0211 -1.3083 -0.6781 H 1 UNL11111111 0.1514 64 H -9.0256 -0.1182 -0.5979 H 1 UNL11111111 0.3562 @BOND 1 57 27 1 2 49 6 1 3 27 23 ar 4 27 26 ar 5 53 23 1 6 56 26 1 7 45 15 1 8 23 18 ar 9 26 21 ar 10 42 13 1 11 6 15 1 12 6 1 1 13 41 13 1 14 3 1 2 15 48 16 1 16 51 19 1 17 39 12 1 18 15 13 1 19 15 46 1 20 13 11 1 21 43 14 1 22 63 30 1 23 32 8 1 24 62 30 1 25 64 4 1 26 4 28 1 27 35 10 1 28 28 5 2 29 28 19 1 30 1 17 1 31 1 2 2 32 19 16 1 33 19 50 1 34 16 14 1 35 16 47 1 36 18 17 ar 37 18 20 ar 38 21 20 ar 39 21 7 1 40 30 61 1 41 30 7 1 42 14 12 1 43 14 44 1 44 33 9 1 45 12 10 1 46 12 40 1 47 8 10 1 48 8 9 1 49 8 31 1 50 10 36 1 51 17 22 ar 52 20 24 ar 53 11 9 1 54 11 37 1 55 11 38 1 56 9 34 1 57 7 29 1 58 60 29 1 59 29 59 1 60 29 58 1 61 22 52 1 62 22 25 ar 63 24 54 1 64 24 25 ar 65 25 55 1