@MOLECULE methyl 4-o-beta-d-galactopyranosyl-beta-d-glucopyranoside 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.2494 0.8581 0.4281 O.3 1 UNL11111111 -0.4273 2 O 1.6313 -0.6657 -0.4680 O.3 1 UNL11111111 -0.5271 3 O -3.2396 0.7282 -0.4023 O.3 1 UNL11111111 -0.4813 4 O -0.4287 -2.0227 0.6050 O.3 1 UNL11111111 -0.5816 5 O 2.4260 2.8223 0.1826 O.3 1 UNL11111111 -0.5524 6 O 4.8724 1.4343 0.8899 O.3 1 UNL11111111 -0.5117 7 O -3.1183 -2.0460 1.8583 O.3 1 UNL11111111 -0.5451 8 O 3.8191 -1.0964 1.2059 O.3 1 UNL11111111 -0.4985 9 O -4.7227 -0.9488 -0.3496 O.3 1 UNL11111111 -0.3599 10 O -2.3481 3.6597 -0.4656 O.3 1 UNL11111111 -0.5389 11 O 1.8054 -2.9911 -1.9206 O.3 1 UNL11111111 -0.5315 12 C -0.9288 0.2452 -0.0840 C.3 1 UNL11111111 0.0085 13 C -1.2625 -0.9134 0.8690 C.3 1 UNL11111111 0.0682 14 C 1.3953 0.7304 -0.3660 C.3 1 UNL11111111 0.2871 15 C -2.0298 1.3182 0.0158 C.3 1 UNL11111111 0.0505 16 C 2.4924 1.4405 0.4592 C.3 1 UNL11111111 0.0250 17 C 3.8902 1.0106 -0.0225 C.3 1 UNL11111111 0.0664 18 C -2.6903 -1.4448 0.6526 C.3 1 UNL11111111 0.0611 19 C 3.9893 -0.5314 -0.0654 C.3 1 UNL11111111 0.0669 20 C 2.8876 -1.0473 -1.0118 C.3 1 UNL11111111 0.0283 21 C -3.7328 -0.3257 0.4215 C.3 1 UNL11111111 0.2928 22 C -1.8095 2.4650 -0.9825 C.3 1 UNL11111111 -0.0163 23 C 2.8134 -2.5834 -1.0272 C.3 1 UNL11111111 -0.0168 24 C -5.8249 -0.1104 -0.6601 C.3 1 UNL11111111 -0.1924 25 H -0.7950 -0.1154 -1.1255 H 1 UNL11111111 0.1592 26 H -1.0981 -0.6197 1.9338 H 1 UNL11111111 0.1576 27 H 1.2429 1.1426 -1.3837 H 1 UNL11111111 0.1320 28 H -2.1266 1.7087 1.0540 H 1 UNL11111111 0.1525 29 H 2.3648 1.2739 1.5526 H 1 UNL11111111 0.1628 30 H 4.1221 1.4622 -1.0157 H 1 UNL11111111 0.1415 31 H -2.7202 -2.1984 -0.1702 H 1 UNL11111111 0.1674 32 H 5.0155 -0.8562 -0.3504 H 1 UNL11111111 0.1747 33 H 2.9710 -0.6388 -2.0413 H 1 UNL11111111 0.1468 34 H -4.1381 0.1103 1.3564 H 1 UNL11111111 0.1318 35 H -2.2648 2.2420 -1.9659 H 1 UNL11111111 0.1394 36 H -0.7371 2.7062 -1.1051 H 1 UNL11111111 0.1478 37 H 2.6269 -3.0013 -0.0206 H 1 UNL11111111 0.1411 38 H 3.7371 -3.0277 -1.4453 H 1 UNL11111111 0.1560 39 H 0.4881 -1.7115 0.4367 H 1 UNL11111111 0.3453 40 H 1.5738 3.1957 0.5040 H 1 UNL11111111 0.3384 41 H 4.7688 2.3996 1.0593 H 1 UNL11111111 0.3259 42 H -2.5627 -2.8351 2.0484 H 1 UNL11111111 0.3348 43 H 2.8799 -1.0168 1.4908 H 1 UNL11111111 0.3158 44 H -3.3177 3.5774 -0.3490 H 1 UNL11111111 0.3203 45 H 0.9194 -2.7558 -1.5596 H 1 UNL11111111 0.3292 46 H -6.4901 -0.7843 -1.2152 H 1 UNL11111111 0.1468 47 H -5.5105 0.7243 -1.2943 H 1 UNL11111111 0.1355 48 H -6.3137 0.2475 0.2506 H 1 UNL11111111 0.1235 @BOND 1 33 20 1 2 35 22 1 3 11 45 1 4 11 23 1 5 38 23 1 6 27 14 1 7 47 24 1 8 46 24 1 9 25 12 1 10 36 22 1 11 23 20 1 12 23 37 1 13 30 17 1 14 20 2 1 15 20 19 1 16 22 10 1 17 22 15 1 18 24 9 1 19 24 48 1 20 2 14 1 21 10 44 1 22 3 15 1 23 3 21 1 24 14 1 1 25 14 16 1 26 32 19 1 27 9 21 1 28 31 18 1 29 12 15 1 30 12 1 1 31 12 13 1 32 19 17 1 33 19 8 1 34 17 16 1 35 17 6 1 36 15 28 1 37 5 16 1 38 5 40 1 39 21 18 1 40 21 34 1 41 39 4 1 42 16 29 1 43 4 13 1 44 18 13 1 45 18 7 1 46 13 26 1 47 6 41 1 48 8 43 1 49 7 42 1