@MOLECULE n,n'-1,6-hexanediylbis(2,3-dihydroxybenzamide) 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5512 -0.7612 -1.5147 O.2 1 UNL1111111111 -0.5723 2 O 2.1507 3.4259 0.8866 O.2 1 UNL1111111111 -0.5032 3 O -2.3533 -1.6445 -1.7443 O.3 1 UNL1111111111 -0.4283 4 O -1.0550 1.5349 1.6645 O.3 1 UNL1111111111 -0.4242 5 O -4.4416 -1.8801 -0.1820 O.3 1 UNL1111111111 -0.4257 6 O -3.3116 1.7481 0.3972 O.3 1 UNL1111111111 -0.4311 7 N 1.1929 -2.7908 -0.7570 N.am 1 UNL1111111111 -0.5657 8 N 1.8376 1.1754 0.8970 N.am 1 UNL1111111111 -0.6170 9 C 3.8672 -1.7590 0.3118 C.3 1 UNL1111111111 -0.2621 10 C 4.0657 -0.4198 -0.4063 C.3 1 UNL1111111111 -0.2746 11 C 3.6776 -2.9233 -0.6672 C.3 1 UNL1111111111 -0.3072 12 C 4.2906 0.7370 0.5705 C.3 1 UNL1111111111 -0.3089 13 C 2.4260 -2.7764 -1.5505 C.3 1 UNL1111111111 -0.0718 14 C 3.1288 0.9552 1.5558 C.3 1 UNL1111111111 -0.0657 15 C 0.3546 -1.7043 -0.7628 C.2 1 UNL1111111111 0.5865 16 C 1.4810 2.4768 0.5428 C.2 1 UNL1111111111 0.5890 17 C -0.8272 -1.7919 0.1253 C.ar 1 UNL1111111111 -0.2513 18 C 0.1747 2.5826 -0.1517 C.ar 1 UNL1111111111 -0.2308 19 C -2.1045 -1.7540 -0.4237 C.ar 1 UNL1111111111 0.2623 20 C -0.9910 2.1040 0.4394 C.ar 1 UNL1111111111 0.2361 21 C -0.6598 -1.8795 1.5149 C.ar 1 UNL1111111111 -0.1317 22 C 0.1248 3.1984 -1.4090 C.ar 1 UNL1111111111 -0.0937 23 C -3.2314 -1.8732 0.4318 C.ar 1 UNL1111111111 0.1928 24 C -2.2197 2.2311 -0.2524 C.ar 1 UNL1111111111 0.1823 25 C -1.7652 -1.9595 2.3442 C.ar 1 UNL1111111111 -0.1286 26 C -1.0833 3.3108 -2.0810 C.ar 1 UNL1111111111 -0.1523 27 C -3.0603 -1.9697 1.8039 C.ar 1 UNL1111111111 -0.2238 28 C -2.2641 2.8221 -1.5056 C.ar 1 UNL1111111111 -0.2256 29 H 4.7402 -1.9636 0.9619 H 1 UNL1111111111 0.1356 30 H 2.9943 -1.7017 0.9876 H 1 UNL1111111111 0.1359 31 H 4.9301 -0.4876 -1.0936 H 1 UNL1111111111 0.1361 32 H 3.1955 -0.1962 -1.0592 H 1 UNL1111111111 0.1561 33 H 3.6301 -3.8763 -0.1070 H 1 UNL1111111111 0.1375 34 H 4.5648 -3.0114 -1.3236 H 1 UNL1111111111 0.1479 35 H 5.2219 0.5754 1.1431 H 1 UNL1111111111 0.1407 36 H 4.4526 1.6725 -0.0051 H 1 UNL1111111111 0.1582 37 H 2.4796 -1.8315 -2.1452 H 1 UNL1111111111 0.1762 38 H 2.3833 -3.6113 -2.2889 H 1 UNL1111111111 0.1385 39 H 3.3615 1.8393 2.2016 H 1 UNL1111111111 0.1652 40 H 3.0214 0.0795 2.2324 H 1 UNL1111111111 0.1301 41 H 1.0723 -3.5488 -0.1050 H 1 UNL1111111111 0.3133 42 H 1.4664 0.3943 0.3600 H 1 UNL1111111111 0.3227 43 H 0.3432 -1.8682 1.9363 H 1 UNL1111111111 0.1506 44 H 1.0423 3.5907 -1.8480 H 1 UNL1111111111 0.1627 45 H -1.6396 -2.0080 3.4242 H 1 UNL1111111111 0.1553 46 H -1.1216 3.7811 -3.0613 H 1 UNL1111111111 0.1539 47 H -3.9214 -2.0286 2.4642 H 1 UNL1111111111 0.1591 48 H -3.2056 2.9059 -2.0428 H 1 UNL1111111111 0.1578 49 H -1.5609 -1.2666 -2.2281 H 1 UNL1111111111 0.3490 50 H -0.1453 1.3823 2.0392 H 1 UNL1111111111 0.3320 51 H -5.1799 -1.9452 0.4750 H 1 UNL1111111111 0.3165 52 H -4.1182 1.7885 -0.1732 H 1 UNL1111111111 0.3158 @BOND 1 1 15 2 2 2 16 2 3 3 19 1 4 3 49 1 5 4 20 1 6 4 50 1 7 5 23 1 8 5 51 1 9 6 24 1 10 6 52 1 11 7 13 1 12 7 15 am 13 7 41 1 14 8 14 1 15 8 16 am 16 8 42 1 17 9 10 1 18 9 11 1 19 9 29 1 20 9 30 1 21 10 12 1 22 10 31 1 23 10 32 1 24 11 13 1 25 11 33 1 26 11 34 1 27 12 14 1 28 12 35 1 29 12 36 1 30 13 37 1 31 13 38 1 32 14 39 1 33 14 40 1 34 15 17 1 35 16 18 1 36 17 19 ar 37 17 21 ar 38 18 20 ar 39 18 22 ar 40 19 23 ar 41 20 24 ar 42 21 25 ar 43 21 43 1 44 22 26 ar 45 22 44 1 46 23 27 ar 47 24 28 ar 48 25 27 ar 49 25 45 1 50 26 28 ar 51 26 46 1 52 27 47 1 53 28 48 1