@MOLECULE n,n'-1,3-phenylenebis(2,3-dihydroxybenzamide) 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.3186 1.0795 -0.7909 O.3 1 UNL1111111111 -0.4904 2 O 6.3177 1.0762 0.8010 O.3 1 UNL1111111111 -0.4899 3 O -3.9273 1.7957 0.1511 O.2 1 UNL1111111111 -0.5525 4 O 3.9319 1.7961 -0.1575 O.2 1 UNL1111111111 -0.5527 5 O -8.2819 -0.7992 -0.6933 O.3 1 UNL1111111111 -0.4431 6 O 8.2809 -0.8005 0.6974 O.3 1 UNL1111111111 -0.4430 7 N -2.3817 0.1163 0.1312 N.am 1 UNL1111111111 -0.5452 8 N 2.3826 0.1197 -0.1334 N.am 1 UNL1111111111 -0.5448 9 C -1.2109 0.9067 0.0614 C.ar 1 UNL1111111111 0.2683 10 C 1.2111 0.9089 -0.0624 C.ar 1 UNL1111111111 0.2685 11 C 0.0005 0.2010 -0.0018 C.ar 1 UNL1111111111 -0.3712 12 C -4.7542 -0.4113 0.3078 C.ar 1 UNL1111111111 -0.2556 13 C 4.7553 -0.4104 -0.3088 C.ar 1 UNL1111111111 -0.2549 14 C -1.2158 2.3055 0.0658 C.ar 1 UNL1111111111 -0.2557 15 C 1.2121 2.3073 -0.0647 C.ar 1 UNL1111111111 -0.2560 16 C -3.6790 0.6008 0.2006 C.2 1 UNL1111111111 0.6206 17 C 3.6802 0.6020 -0.2039 C.2 1 UNL1111111111 0.6205 18 C -0.0023 2.9846 0.0005 C.ar 1 UNL1111111111 -0.0538 19 C -6.0066 -0.1006 -0.2203 C.ar 1 UNL1111111111 0.2334 20 C 6.0069 -0.1009 0.2235 C.ar 1 UNL1111111111 0.2326 21 C -4.5760 -1.6467 0.9522 C.ar 1 UNL1111111111 -0.1259 22 C 4.5778 -1.6437 -0.9574 C.ar 1 UNL1111111111 -0.1259 23 C -7.0557 -1.0534 -0.1746 C.ar 1 UNL1111111111 0.1820 24 C 7.0548 -1.0539 0.1780 C.ar 1 UNL1111111111 0.1819 25 C -5.6091 -2.5675 1.0057 C.ar 1 UNL1111111111 -0.1589 26 C 5.6092 -2.5664 -1.0092 C.ar 1 UNL1111111111 -0.1586 27 C -6.8558 -2.2849 0.4296 C.ar 1 UNL1111111111 -0.1658 28 C 6.8538 -2.2841 -0.4288 C.ar 1 UNL1111111111 -0.1660 29 H -0.0025 -0.8831 -0.0058 H 1 UNL1111111111 0.1581 30 H -2.2437 -0.8922 0.1062 H 1 UNL1111111111 0.3170 31 H 2.2428 -0.8890 -0.1175 H 1 UNL1111111111 0.3169 32 H -2.1477 2.8702 0.1143 H 1 UNL1111111111 0.2034 33 H 2.1449 2.8719 -0.1119 H 1 UNL1111111111 0.2033 34 H -0.0041 4.0773 -0.0016 H 1 UNL1111111111 0.1578 35 H -3.6261 -1.8787 1.4337 H 1 UNL1111111111 0.1527 36 H 3.6289 -1.8734 -1.4402 H 1 UNL1111111111 0.1524 37 H -5.4622 -3.5222 1.5095 H 1 UNL1111111111 0.1589 38 H 5.4623 -3.5214 -1.5122 H 1 UNL1111111111 0.1590 39 H -7.6662 -3.0117 0.4620 H 1 UNL1111111111 0.1767 40 H 7.6643 -3.0117 -0.4621 H 1 UNL1111111111 0.1767 41 H -5.5874 1.7636 -0.6130 H 1 UNL1111111111 0.3888 42 H 5.5880 1.7614 0.6201 H 1 UNL1111111111 0.3886 43 H -8.3297 0.1314 -1.0485 H 1 UNL1111111111 0.3459 44 H 8.3281 0.1293 1.0552 H 1 UNL1111111111 0.3459 @BOND 1 1 19 1 2 1 41 1 3 2 20 1 4 2 42 1 5 3 16 2 6 4 17 2 7 5 23 1 8 5 43 1 9 6 24 1 10 6 44 1 11 7 9 1 12 7 16 am 13 7 30 1 14 8 10 1 15 8 17 am 16 8 31 1 17 9 11 ar 18 9 14 ar 19 10 11 ar 20 10 15 ar 21 11 29 1 22 12 16 1 23 12 19 ar 24 12 21 ar 25 13 17 1 26 13 20 ar 27 13 22 ar 28 14 18 ar 29 14 32 1 30 15 18 ar 31 15 33 1 32 18 34 1 33 19 23 ar 34 20 24 ar 35 21 25 ar 36 21 35 1 37 22 26 ar 38 22 36 1 39 23 27 ar 40 24 28 ar 41 25 27 ar 42 25 37 1 43 26 28 ar 44 26 38 1 45 27 39 1 46 28 40 1