@MOLECULE n-[3-({4-[(2,3-dihydroxybenzoyl)amino]butyl}amino)propyl]-2,3-dihydroxybenzamide 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3921 -2.9714 -0.5592 O.2 1 UNL1111111111 -0.5465 2 O 4.1915 2.4513 0.4266 O.2 1 UNL1111111111 -0.4916 3 O -3.1993 -1.4826 2.0109 O.3 1 UNL1111111111 -0.4150 4 O 0.5404 2.1631 1.3989 O.3 1 UNL1111111111 -0.4145 5 O -5.0040 0.2487 2.7360 O.3 1 UNL1111111111 -0.4163 6 O -1.5217 2.3928 -0.1731 O.3 1 UNL1111111111 -0.4214 7 N 3.7453 -1.8557 0.0842 N.3 1 UNL1111111111 -0.5668 8 N -1.2407 -1.1937 -1.3852 N.am 1 UNL1111111111 -0.5829 9 N 3.1058 0.6599 1.3348 N.am 1 UNL1111111111 -0.5984 10 C 2.1195 -2.9987 -1.3628 C.3 1 UNL1111111111 -0.2782 11 C 3.2229 -3.1838 -0.3061 C.3 1 UNL1111111111 -0.1104 12 C 0.9481 -2.1899 -0.8022 C.3 1 UNL1111111111 -0.2896 13 C 4.7826 -1.9514 1.1373 C.3 1 UNL1111111111 -0.1103 14 C 5.3060 -0.5469 1.4743 C.3 1 UNL1111111111 -0.3245 15 C -0.1431 -2.0311 -1.8739 C.3 1 UNL1111111111 -0.0636 16 C 4.2605 0.3343 2.1854 C.3 1 UNL1111111111 -0.0584 17 C -2.3094 -1.7691 -0.7351 C.2 1 UNL1111111111 0.5911 18 C 3.2390 1.7038 0.4120 C.2 1 UNL1111111111 0.5712 19 C -3.3659 -0.8184 -0.3111 C.ar 1 UNL1111111111 -0.2426 20 C 2.0578 1.8923 -0.4704 C.ar 1 UNL1111111111 -0.2457 21 C -3.7355 -0.7360 1.0248 C.ar 1 UNL1111111111 0.2545 22 C -4.0139 -0.0322 -1.2758 C.ar 1 UNL1111111111 -0.1265 23 C 0.7956 2.1062 0.0778 C.ar 1 UNL1111111111 0.2445 24 C 2.2282 1.9057 -1.8605 C.ar 1 UNL1111111111 -0.0992 25 C -4.7272 0.2052 1.4096 C.ar 1 UNL1111111111 0.1918 26 C -0.3152 2.2894 -0.7840 C.ar 1 UNL1111111111 0.1622 27 C -5.0035 0.8559 -0.8943 C.ar 1 UNL1111111111 -0.1601 28 C 1.1376 2.0997 -2.6938 C.ar 1 UNL1111111111 -0.1588 29 C -5.3558 0.9905 0.4572 C.ar 1 UNL1111111111 -0.2377 30 C -0.1444 2.2900 -2.1588 C.ar 1 UNL1111111111 -0.2401 31 H 2.5328 -2.4996 -2.2592 H 1 UNL1111111111 0.1366 32 H 1.7696 -3.9937 -1.6999 H 1 UNL1111111111 0.1447 33 H 2.8048 -3.6713 0.6027 H 1 UNL1111111111 0.1457 34 H 4.0121 -3.8586 -0.6990 H 1 UNL1111111111 0.1113 35 H 1.2974 -1.1986 -0.4560 H 1 UNL1111111111 0.1502 36 H 0.5259 -2.6864 0.0923 H 1 UNL1111111111 0.1578 37 H 4.3200 -2.4151 2.0377 H 1 UNL1111111111 0.1439 38 H 5.6318 -2.6071 0.8442 H 1 UNL1111111111 0.1123 39 H 5.6589 -0.0298 0.5598 H 1 UNL1111111111 0.1589 40 H 6.1945 -0.6429 2.1296 H 1 UNL1111111111 0.1482 41 H 4.0987 -1.3490 -0.7272 H 1 UNL1111111111 0.2568 42 H -0.5459 -3.0337 -2.1596 H 1 UNL1111111111 0.1629 43 H 0.2700 -1.5682 -2.7975 H 1 UNL1111111111 0.1346 44 H 4.7442 1.2825 2.5219 H 1 UNL1111111111 0.1599 45 H 3.8759 -0.1848 3.0925 H 1 UNL1111111111 0.1417 46 H -1.0863 -0.1978 -1.3390 H 1 UNL1111111111 0.3201 47 H 2.5738 -0.1662 1.0402 H 1 UNL1111111111 0.3316 48 H -3.7413 -0.1432 -2.3238 H 1 UNL1111111111 0.1580 49 H 3.2286 1.7707 -2.2768 H 1 UNL1111111111 0.1635 50 H -5.5221 1.4542 -1.6399 H 1 UNL1111111111 0.1528 51 H 1.2690 2.1115 -3.7738 H 1 UNL1111111111 0.1557 52 H -6.1271 1.6998 0.7454 H 1 UNL1111111111 0.1593 53 H -0.9909 2.4409 -2.8216 H 1 UNL1111111111 0.1585 54 H -2.7003 -2.2637 1.6376 H 1 UNL1111111111 0.3420 55 H 1.3362 1.8804 1.9373 H 1 UNL1111111111 0.3436 56 H -5.6726 0.9468 2.9455 H 1 UNL1111111111 0.3152 57 H -2.2222 2.7025 -0.7995 H 1 UNL1111111111 0.3182 @BOND 1 1 17 2 2 2 18 2 3 3 21 1 4 3 54 1 5 4 23 1 6 4 55 1 7 5 25 1 8 5 56 1 9 6 26 1 10 6 57 1 11 7 11 1 12 7 13 1 13 7 41 1 14 8 15 1 15 8 17 am 16 8 46 1 17 9 16 1 18 9 18 am 19 9 47 1 20 10 11 1 21 10 12 1 22 10 31 1 23 10 32 1 24 11 33 1 25 11 34 1 26 12 15 1 27 12 35 1 28 12 36 1 29 13 14 1 30 13 37 1 31 13 38 1 32 14 16 1 33 14 39 1 34 14 40 1 35 15 42 1 36 15 43 1 37 16 44 1 38 16 45 1 39 17 19 1 40 18 20 1 41 19 21 ar 42 19 22 ar 43 20 23 ar 44 20 24 ar 45 21 25 ar 46 22 27 ar 47 22 48 1 48 23 26 ar 49 24 28 ar 50 24 49 1 51 25 29 ar 52 26 30 ar 53 27 29 ar 54 27 50 1 55 28 30 ar 56 28 51 1 57 29 52 1 58 30 53 1