@MOLECULE nonyl beta-d-glucopyranoside 51 51 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.2448 -0.5253 -0.5102 C.3 1 UNL1111111111 0.2749 2 C -3.2149 -1.5686 0.0903 C.3 1 UNL1111111111 0.0295 3 C -4.6706 -1.0996 -0.0558 C.3 1 UNL1111111111 0.0695 4 C -4.8329 0.3464 0.4512 C.3 1 UNL1111111111 0.0731 5 C -3.7883 1.2615 -0.2186 C.3 1 UNL1111111111 0.0495 6 C -3.7766 2.6577 0.4190 C.3 1 UNL1111111111 -0.0129 7 C 0.0518 0.0304 -0.2685 C.3 1 UNL1111111111 -0.0148 8 C 1.3392 -0.7542 -0.0107 C.3 1 UNL1111111111 -0.3004 9 C 2.5518 0.1654 -0.1809 C.3 1 UNL1111111111 -0.2677 10 C 3.8505 -0.6015 0.0970 C.3 1 UNL1111111111 -0.2687 11 C 5.0704 0.3045 -0.1124 C.3 1 UNL1111111111 -0.2719 12 C 6.3632 -0.4498 0.2230 C.3 1 UNL1111111111 -0.2761 13 C 7.5913 0.4301 -0.0402 C.3 1 UNL1111111111 -0.2724 14 C 8.8835 -0.3223 0.3053 C.3 1 UNL1111111111 -0.2508 15 C 10.1090 0.5556 0.0509 C.3 1 UNL1111111111 -0.4396 16 O -0.9837 -0.9335 -0.0631 O.3 1 UNL1111111111 -0.4329 17 O -3.1449 -2.7545 -0.6737 O.3 1 UNL1111111111 -0.5585 18 O -5.5062 -1.8622 0.7913 O.3 1 UNL1111111111 -0.5630 19 O -6.0807 0.8574 0.0363 O.3 1 UNL1111111111 -0.5489 20 O -2.4920 0.7545 0.0539 O.3 1 UNL1111111111 -0.4774 21 O -2.9801 3.5299 -0.3513 O.3 1 UNL1111111111 -0.5369 22 H -2.2685 -0.4578 -1.6168 H 1 UNL1111111111 0.1246 23 H -2.9564 -1.7968 1.1489 H 1 UNL1111111111 0.1615 24 H -5.0351 -1.2183 -1.1023 H 1 UNL1111111111 0.1540 25 H -4.7817 0.3857 1.5623 H 1 UNL1111111111 0.1510 26 H -3.9461 1.3272 -1.3182 H 1 UNL1111111111 0.1520 27 H -4.7846 3.1182 0.3884 H 1 UNL1111111111 0.1653 28 H -3.3955 2.6357 1.4555 H 1 UNL1111111111 0.1310 29 H -0.0934 0.8493 0.4582 H 1 UNL1111111111 0.1342 30 H -0.0011 0.4279 -1.2953 H 1 UNL1111111111 0.1180 31 H 1.4016 -1.6182 -0.6993 H 1 UNL1111111111 0.1502 32 H 1.3157 -1.1888 1.0077 H 1 UNL1111111111 0.1544 33 H 2.4735 1.0323 0.5029 H 1 UNL1111111111 0.1398 34 H 2.5731 0.5844 -1.2049 H 1 UNL1111111111 0.1381 35 H 3.9190 -1.4862 -0.5633 H 1 UNL1111111111 0.1374 36 H 3.8434 -0.9952 1.1307 H 1 UNL1111111111 0.1388 37 H 4.9866 1.2091 0.5182 H 1 UNL1111111111 0.1372 38 H 5.1010 0.6643 -1.1577 H 1 UNL1111111111 0.1364 39 H 6.4275 -1.3769 -0.3768 H 1 UNL1111111111 0.1368 40 H 6.3487 -0.7731 1.2807 H 1 UNL1111111111 0.1370 41 H 7.5264 1.3608 0.5533 H 1 UNL1111111111 0.1368 42 H 7.6114 0.7476 -1.0993 H 1 UNL1111111111 0.1365 43 H 8.9525 -1.2505 -0.2926 H 1 UNL1111111111 0.1336 44 H 8.8626 -0.6445 1.3636 H 1 UNL1111111111 0.1339 45 H 11.0355 0.0234 0.2926 H 1 UNL1111111111 0.1406 46 H 10.1704 0.8635 -0.9988 H 1 UNL1111111111 0.1424 47 H 10.0834 1.4657 0.6605 H 1 UNL1111111111 0.1425 48 H -2.2314 -3.1164 -0.6504 H 1 UNL1111111111 0.3366 49 H -5.3888 -2.8194 0.5995 H 1 UNL1111111111 0.3389 50 H -6.7962 0.2416 0.3173 H 1 UNL1111111111 0.3384 51 H -2.0756 3.1614 -0.4369 H 1 UNL1111111111 0.3185 @BOND 1 1 2 1 2 1 16 1 3 1 20 1 4 1 22 1 5 2 3 1 6 2 17 1 7 2 23 1 8 3 4 1 9 3 18 1 10 3 24 1 11 4 5 1 12 4 19 1 13 4 25 1 14 5 6 1 15 5 20 1 16 5 26 1 17 6 21 1 18 6 27 1 19 6 28 1 20 7 8 1 21 7 16 1 22 7 29 1 23 7 30 1 24 8 9 1 25 8 31 1 26 8 32 1 27 9 10 1 28 9 33 1 29 9 34 1 30 10 11 1 31 10 35 1 32 10 36 1 33 11 12 1 34 11 37 1 35 11 38 1 36 12 13 1 37 12 39 1 38 12 40 1 39 13 14 1 40 13 41 1 41 13 42 1 42 14 15 1 43 14 43 1 44 14 44 1 45 15 45 1 46 15 46 1 47 15 47 1 48 17 48 1 49 18 49 1 50 19 50 1 51 21 51 1