@MOLECULE octyl alpha-d-arabinofuranoside 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2890 -0.7323 -0.8341 C.3 1 UNL1111111111 0.2766 2 O 1.0425 -0.9340 -0.2266 O.3 1 UNL1111111111 -0.4582 3 C 3.2817 -1.5403 0.0381 C.3 1 UNL1111111111 0.0349 4 O 4.1066 -2.3428 -0.7713 O.3 1 UNL1111111111 -0.5499 5 C 4.2085 -0.4698 0.6617 C.3 1 UNL1111111111 0.0835 6 O 4.2370 -0.5860 2.0629 O.3 1 UNL1111111111 -0.5409 7 C 3.4950 0.8677 0.3660 C.3 1 UNL1111111111 0.0467 8 O 2.6646 0.6263 -0.7711 O.3 1 UNL1111111111 -0.4615 9 C 4.4422 1.9909 -0.0588 C.3 1 UNL1111111111 -0.0275 10 O 3.7423 3.2146 -0.1132 O.3 1 UNL1111111111 -0.5340 11 C 0.0018 -0.0995 -0.7320 C.3 1 UNL1111111111 -0.0147 12 C -1.2323 -0.5277 0.0659 C.3 1 UNL1111111111 -0.2948 13 C -2.4983 0.0580 -0.5659 C.3 1 UNL1111111111 -0.2697 14 C -3.7333 -0.2943 0.2733 C.3 1 UNL1111111111 -0.2685 15 C -5.0129 0.2180 -0.4002 C.3 1 UNL1111111111 -0.2746 16 C -6.2393 -0.0692 0.4753 C.3 1 UNL1111111111 -0.2734 17 C -7.5237 0.4136 -0.2123 C.3 1 UNL1111111111 -0.2513 18 C -8.7440 0.1675 0.6753 C.3 1 UNL1111111111 -0.4396 19 H 2.2613 -0.9748 -1.9123 H 1 UNL1111111111 0.1372 20 H 2.7684 -2.1573 0.8050 H 1 UNL1111111111 0.1605 21 H 3.6158 -3.1183 -1.1119 H 1 UNL1111111111 0.3248 22 H 5.2387 -0.5329 0.2543 H 1 UNL1111111111 0.1492 23 H 4.7514 -1.3741 2.3348 H 1 UNL1111111111 0.3237 24 H 2.8377 1.1751 1.2111 H 1 UNL1111111111 0.1711 25 H 5.2251 2.1744 0.7021 H 1 UNL1111111111 0.1538 26 H 4.9039 1.7944 -1.0437 H 1 UNL1111111111 0.1318 27 H 2.9649 3.1269 -0.7061 H 1 UNL1111111111 0.3213 28 H 0.2682 0.9573 -0.5558 H 1 UNL1111111111 0.1326 29 H -0.1109 -0.2802 -1.8142 H 1 UNL1111111111 0.1144 30 H -1.2883 -1.6335 0.1015 H 1 UNL1111111111 0.1531 31 H -1.1299 -0.2048 1.1195 H 1 UNL1111111111 0.1524 32 H -2.4072 1.1570 -0.6582 H 1 UNL1111111111 0.1392 33 H -2.6212 -0.3264 -1.5961 H 1 UNL1111111111 0.1366 34 H -3.7954 -1.3891 0.4166 H 1 UNL1111111111 0.1372 35 H -3.6379 0.1394 1.2865 H 1 UNL1111111111 0.1392 36 H -4.9325 1.3041 -0.5922 H 1 UNL1111111111 0.1368 37 H -5.1357 -0.2572 -1.3911 H 1 UNL1111111111 0.1355 38 H -6.3093 -1.1517 0.6893 H 1 UNL1111111111 0.1366 39 H -6.1284 0.4265 1.4578 H 1 UNL1111111111 0.1375 40 H -7.4425 1.4907 -0.4520 H 1 UNL1111111111 0.1338 41 H -7.6510 -0.1039 -1.1818 H 1 UNL1111111111 0.1332 42 H -8.8614 -0.8965 0.9088 H 1 UNL1111111111 0.1424 43 H -8.6632 0.7069 1.6257 H 1 UNL1111111111 0.1427 44 H -9.6653 0.5007 0.1851 H 1 UNL1111111111 0.1403 @BOND 1 1 2 1 2 1 3 1 3 1 8 1 4 1 19 1 5 2 11 1 6 3 4 1 7 3 5 1 8 3 20 1 9 4 21 1 10 5 6 1 11 5 7 1 12 5 22 1 13 6 23 1 14 7 8 1 15 7 9 1 16 7 24 1 17 9 10 1 18 9 25 1 19 9 26 1 20 10 27 1 21 11 12 1 22 11 28 1 23 11 29 1 24 12 13 1 25 12 30 1 26 12 31 1 27 13 14 1 28 13 32 1 29 13 33 1 30 14 15 1 31 14 34 1 32 14 35 1 33 15 16 1 34 15 36 1 35 15 37 1 36 16 17 1 37 16 38 1 38 16 39 1 39 17 18 1 40 17 40 1 41 17 41 1 42 18 42 1 43 18 43 1 44 18 44 1