@MOLECULE octyl alpha-d-galactopyranoside 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9922 -0.6250 0.0850 O.3 1 UNL1111111111 -0.4682 2 O -0.4454 0.9565 -0.3671 O.3 1 UNL1111111111 -0.4018 3 O -5.0201 2.1375 0.1007 O.3 1 UNL1111111111 -0.5445 4 O -5.5792 -0.7059 0.0118 O.3 1 UNL1111111111 -0.5505 5 O -2.4903 1.9977 1.0842 O.3 1 UNL1111111111 -0.5465 6 O -2.8885 -3.4795 -0.1618 O.3 1 UNL1111111111 -0.5441 7 C -4.1305 1.1856 -0.4240 C.3 1 UNL1111111111 0.0486 8 C -4.3266 -0.1437 0.3351 C.3 1 UNL1111111111 0.0445 9 C -2.6712 1.6651 -0.2726 C.3 1 UNL1111111111 0.0360 10 C -3.2808 -1.1781 -0.1365 C.3 1 UNL1111111111 0.0830 11 C -1.7267 0.5235 -0.7140 C.3 1 UNL1111111111 0.2516 12 C -3.3096 -2.4485 0.7188 C.3 1 UNL1111111111 -0.0202 13 C 0.5662 -0.0435 -0.5346 C.3 1 UNL1111111111 -0.0276 14 C 1.8614 0.7107 -0.2297 C.3 1 UNL1111111111 -0.2999 15 C 3.0586 -0.2383 -0.3299 C.3 1 UNL1111111111 -0.2664 16 C 4.3630 0.5091 -0.0238 C.3 1 UNL1111111111 -0.2678 17 C 5.5652 -0.4384 -0.1225 C.3 1 UNL1111111111 -0.2751 18 C 6.8695 0.3077 0.1849 C.3 1 UNL1111111111 -0.2735 19 C 8.0736 -0.6385 0.0882 C.3 1 UNL1111111111 -0.2514 20 C 9.3751 0.1026 0.3944 C.3 1 UNL1111111111 -0.4396 21 H -4.4438 1.1001 -1.4885 H 1 UNL1111111111 0.1583 22 H -4.2896 0.0149 1.4348 H 1 UNL1111111111 0.1422 23 H -2.4766 2.6132 -0.8195 H 1 UNL1111111111 0.1666 24 H -3.4092 -1.4355 -1.2138 H 1 UNL1111111111 0.1599 25 H -1.7916 0.2590 -1.7880 H 1 UNL1111111111 0.1210 26 H -2.6101 -2.3830 1.5719 H 1 UNL1111111111 0.1322 27 H -4.3367 -2.6715 1.0669 H 1 UNL1111111111 0.1417 28 H 0.3792 -0.8664 0.1772 H 1 UNL1111111111 0.1385 29 H 0.5346 -0.4316 -1.5660 H 1 UNL1111111111 0.1194 30 H 1.9748 1.5638 -0.9259 H 1 UNL1111111111 0.1520 31 H 1.8016 1.1628 0.7800 H 1 UNL1111111111 0.1549 32 H 2.9354 -1.0842 0.3731 H 1 UNL1111111111 0.1397 33 H 3.1085 -0.6860 -1.3405 H 1 UNL1111111111 0.1373 34 H -4.6511 2.5236 0.9318 H 1 UNL1111111111 0.3406 35 H -6.2692 -0.0033 0.0362 H 1 UNL1111111111 0.3370 36 H 4.4894 1.3554 -0.7246 H 1 UNL1111111111 0.1375 37 H 4.3155 0.9569 0.9867 H 1 UNL1111111111 0.1392 38 H -1.9490 1.3077 1.5360 H 1 UNL1111111111 0.3447 39 H 5.6144 -0.8856 -1.1327 H 1 UNL1111111111 0.1359 40 H 5.4397 -1.2849 0.5783 H 1 UNL1111111111 0.1367 41 H 6.8220 0.7557 1.1948 H 1 UNL1111111111 0.1373 42 H 6.9974 1.1538 -0.5156 H 1 UNL1111111111 0.1369 43 H -2.8311 -4.3287 0.3153 H 1 UNL1111111111 0.3114 44 H 8.1227 -1.0864 -0.9222 H 1 UNL1111111111 0.1334 45 H 7.9470 -1.4851 0.7891 H 1 UNL1111111111 0.1336 46 H 9.3658 0.5280 1.4042 H 1 UNL1111111111 0.1427 47 H 9.5420 0.9263 -0.3087 H 1 UNL1111111111 0.1425 48 H 10.2391 -0.5676 0.3275 H 1 UNL1111111111 0.1404 @BOND 1 1 10 1 2 1 11 1 3 2 11 1 4 2 13 1 5 3 7 1 6 3 34 1 7 4 8 1 8 4 35 1 9 5 9 1 10 5 38 1 11 6 12 1 12 6 43 1 13 7 8 1 14 7 9 1 15 7 21 1 16 8 10 1 17 8 22 1 18 9 11 1 19 9 23 1 20 10 12 1 21 10 24 1 22 11 25 1 23 12 26 1 24 12 27 1 25 13 14 1 26 13 28 1 27 13 29 1 28 14 15 1 29 14 30 1 30 14 31 1 31 15 16 1 32 15 32 1 33 15 33 1 34 16 17 1 35 16 36 1 36 16 37 1 37 17 18 1 38 17 39 1 39 17 40 1 40 18 19 1 41 18 41 1 42 18 42 1 43 19 20 1 44 19 44 1 45 19 45 1 46 20 46 1 47 20 47 1 48 20 48 1