@MOLECULE naphthol as-bi -d-glucopyranoside 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 BR -7.2916 -0.5905 0.0065 Br 1 UNL111111111 -0.0496 2 O 1.7613 1.5592 -1.5633 O.3 1 UNL111111111 -0.3892 3 O 0.7105 1.2500 0.4511 O.3 1 UNL111111111 -0.4668 4 O 4.3475 3.4917 0.9694 O.3 1 UNL111111111 -0.5700 5 O 5.2129 1.1397 -0.4541 O.3 1 UNL111111111 -0.5489 6 O 2.2218 4.3012 -0.4241 O.3 1 UNL111111111 -0.5426 7 O 3.2948 -1.2103 -2.5336 O.3 1 UNL111111111 -0.5525 8 O 0.4738 -2.1419 -1.3201 O.2 1 UNL111111111 -0.5204 9 O 3.6770 -0.6024 1.7125 O.3 1 UNL111111111 -0.3843 10 N 1.3798 -1.5265 0.6771 N.am 1 UNL111111111 -0.5404 11 C 3.4842 2.4502 0.5517 C.3 1 UNL111111111 0.0408 12 C 4.0142 1.8123 -0.7467 C.3 1 UNL111111111 0.0559 13 C 2.1175 3.1171 0.3355 C.3 1 UNL111111111 0.0591 14 C 2.9556 0.8363 -1.2843 C.3 1 UNL111111111 -0.0071 15 C 1.1739 2.2225 -0.5010 C.3 1 UNL111111111 0.3068 16 C 3.3309 0.1926 -2.6259 C.3 1 UNL111111111 -0.0103 17 C -0.5676 0.8084 0.2652 C.ar 1 UNL111111111 0.2866 18 C -0.7425 -0.5672 -0.0392 C.ar 1 UNL111111111 -0.1901 19 C -1.6367 1.6502 0.4592 C.ar 1 UNL111111111 -0.2652 20 C -2.9530 1.1325 0.3584 C.ar 1 UNL111111111 0.0582 21 C -3.1432 -0.2354 0.0521 C.ar 1 UNL111111111 -0.0609 22 C -2.0140 -1.0735 -0.1524 C.ar 1 UNL111111111 -0.0431 23 C 0.4104 -1.4604 -0.3177 C.2 1 UNL111111111 0.6069 24 C -4.0902 1.9669 0.5566 C.ar 1 UNL111111111 -0.1613 25 C -4.4644 -0.7529 -0.0548 C.ar 1 UNL111111111 -0.1284 26 C -5.3578 1.4561 0.4525 C.ar 1 UNL111111111 -0.1299 27 C -5.5248 0.0864 0.1446 C.ar 1 UNL111111111 -0.0394 28 C 2.5558 -2.2989 0.5319 C.ar 1 UNL111111111 0.1189 29 C 3.7531 -1.8421 1.1285 C.ar 1 UNL111111111 0.1312 30 C 2.5806 -3.5095 -0.1674 C.ar 1 UNL111111111 -0.1499 31 C 4.9351 -2.5643 1.0348 C.ar 1 UNL111111111 -0.2158 32 C 3.7694 -4.2295 -0.2702 C.ar 1 UNL111111111 -0.1420 33 C 4.9395 -3.7633 0.3232 C.ar 1 UNL111111111 -0.1279 34 C 4.3574 -0.4742 2.9566 C.3 1 UNL111111111 -0.1844 35 H 3.4381 1.7060 1.3805 H 1 UNL111111111 0.1491 36 H 4.3144 2.5783 -1.4958 H 1 UNL111111111 0.1724 37 H 1.6492 3.3901 1.3100 H 1 UNL111111111 0.1524 38 H 2.7378 0.0520 -0.5264 H 1 UNL111111111 0.1544 39 H 0.3418 2.7854 -0.9813 H 1 UNL111111111 0.1671 40 H 4.3845 0.3941 -2.9048 H 1 UNL111111111 0.1610 41 H 2.6525 0.5268 -3.4361 H 1 UNL111111111 0.1450 42 H 5.2817 3.2308 0.7984 H 1 UNL111111111 0.3436 43 H 5.0280 0.3320 0.0828 H 1 UNL111111111 0.3338 44 H 3.0715 4.7537 -0.2019 H 1 UNL111111111 0.3463 45 H 2.4218 -1.5304 -2.2089 H 1 UNL111111111 0.3360 46 H -1.4870 2.7009 0.6975 H 1 UNL111111111 0.1786 47 H -2.1702 -2.1252 -0.4130 H 1 UNL111111111 0.1774 48 H -3.9320 3.0193 0.7919 H 1 UNL111111111 0.1641 49 H -4.5950 -1.8094 -0.2956 H 1 UNL111111111 0.1745 50 H -6.2292 2.0953 0.6028 H 1 UNL111111111 0.1703 51 H 1.3938 -0.8072 1.4010 H 1 UNL111111111 0.3368 52 H 1.6713 -3.8918 -0.6392 H 1 UNL111111111 0.1911 53 H 5.8486 -2.1961 1.4933 H 1 UNL111111111 0.1624 54 H 3.7800 -5.1648 -0.8295 H 1 UNL111111111 0.1595 55 H 5.8639 -4.3304 0.2273 H 1 UNL111111111 0.1551 56 H 5.4336 -0.3731 2.7852 H 1 UNL111111111 0.1333 57 H 4.1414 -1.3172 3.6195 H 1 UNL111111111 0.1389 58 H 3.9394 0.4551 3.3670 H 1 UNL111111111 0.1523 @BOND 1 1 27 1 2 2 14 1 3 2 15 1 4 3 15 1 5 3 17 1 6 4 11 1 7 4 42 1 8 5 12 1 9 5 43 1 10 6 13 1 11 6 44 1 12 7 16 1 13 7 45 1 14 8 23 2 15 9 29 1 16 9 34 1 17 10 23 am 18 10 28 1 19 10 51 1 20 11 12 1 21 11 13 1 22 11 35 1 23 12 14 1 24 12 36 1 25 13 15 1 26 13 37 1 27 14 16 1 28 14 38 1 29 15 39 1 30 16 40 1 31 16 41 1 32 17 18 ar 33 17 19 ar 34 18 22 ar 35 18 23 1 36 19 20 ar 37 19 46 1 38 20 21 ar 39 20 24 ar 40 21 22 ar 41 21 25 ar 42 22 47 1 43 24 26 ar 44 24 48 1 45 25 27 ar 46 25 49 1 47 26 27 ar 48 26 50 1 49 28 29 ar 50 28 30 ar 51 29 31 ar 52 30 32 ar 53 30 52 1 54 31 33 ar 55 31 53 1 56 32 33 ar 57 32 54 1 58 33 55 1 59 34 56 1 60 34 57 1 61 34 58 1