@MOLECULE 4-o-beta-d-mannopyranosyl-beta-d-mannopyranose 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.1109 0.9317 0.6870 O.3 1 UNL11111111 -0.3775 2 O 1.3445 -0.5945 -0.0913 O.3 1 UNL11111111 -0.5124 3 O -3.5192 0.6684 -0.4919 O.3 1 UNL11111111 -0.4651 4 O -0.8391 -1.8009 1.3686 O.3 1 UNL11111111 -0.5722 5 O 2.2589 0.9910 2.0211 O.3 1 UNL11111111 -0.4750 6 O 4.5079 1.8909 0.6561 O.3 1 UNL11111111 -0.5117 7 O 4.8729 -0.4642 -1.0166 O.3 1 UNL11111111 -0.5308 8 O -2.9423 -2.1047 -0.2644 O.3 1 UNL11111111 -0.5429 9 O -5.2149 -0.7282 -0.0916 O.3 1 UNL11111111 -0.5110 10 O -2.9435 3.2328 -1.4358 O.3 1 UNL11111111 -0.5356 11 O 1.4887 -3.0595 -1.3499 O.3 1 UNL11111111 -0.5243 12 C -1.2460 0.2540 0.1533 C.3 1 UNL11111111 -0.0054 13 C -1.7165 -0.6972 1.2691 C.3 1 UNL11111111 0.0671 14 C 1.0518 0.8039 -0.0728 C.3 1 UNL11111111 0.2508 15 C -2.3273 1.3214 -0.1033 C.3 1 UNL11111111 0.0413 16 C 2.1760 1.5092 0.7274 C.3 1 UNL11111111 0.0738 17 C 3.4809 1.2663 -0.0718 C.3 1 UNL11111111 0.0293 18 C 3.7379 -0.2467 -0.2201 C.3 1 UNL11111111 0.0265 19 C -3.0791 -1.3053 0.8901 C.3 1 UNL11111111 0.0240 20 C 2.5047 -0.9445 -0.8269 C.3 1 UNL11111111 0.0288 21 C -4.0835 -0.1885 0.4968 C.3 1 UNL11111111 0.3369 22 C -1.9931 2.1989 -1.3217 C.3 1 UNL11111111 -0.0169 23 C 2.5730 -2.4732 -0.6699 C.3 1 UNL11111111 -0.0192 24 H -1.0130 -0.3181 -0.7704 H 1 UNL11111111 0.1658 25 H -1.7341 -0.1902 2.2596 H 1 UNL11111111 0.1485 26 H 0.9065 1.1680 -1.1081 H 1 UNL11111111 0.1194 27 H -2.5144 1.9480 0.7967 H 1 UNL11111111 0.1493 28 H 1.9869 2.5927 0.8983 H 1 UNL11111111 0.1819 29 H 3.4413 1.7719 -1.0641 H 1 UNL11111111 0.1295 30 H 4.0437 -0.6958 0.7554 H 1 UNL11111111 0.1741 31 H 2.3507 -0.6657 -1.8929 H 1 UNL11111111 0.1431 32 H -3.4857 -1.9410 1.7084 H 1 UNL11111111 0.1527 33 H -4.4536 0.4132 1.3521 H 1 UNL11111111 0.1372 34 H -1.9863 1.6111 -2.2582 H 1 UNL11111111 0.1313 35 H -1.0347 2.7332 -1.1896 H 1 UNL11111111 0.1462 36 H 2.5579 -2.7826 0.3901 H 1 UNL11111111 0.1307 37 H 3.4667 -2.8912 -1.1720 H 1 UNL11111111 0.1652 38 H 0.0919 -1.4863 1.3064 H 1 UNL11111111 0.3463 39 H 2.2153 0.0081 1.9993 H 1 UNL11111111 0.3094 40 H 5.3669 1.4384 0.4862 H 1 UNL11111111 0.3280 41 H 4.7436 -0.1494 -1.9360 H 1 UNL11111111 0.3176 42 H -2.2204 -2.7595 -0.1180 H 1 UNL11111111 0.3404 43 H -4.9680 -1.2790 -0.8787 H 1 UNL11111111 0.3503 44 H -3.8475 2.8426 -1.4626 H 1 UNL11111111 0.3305 45 H 0.6431 -2.7580 -0.9481 H 1 UNL11111111 0.3239 @BOND 1 34 22 1 2 41 7 1 3 31 20 1 4 44 10 1 5 10 22 1 6 11 45 1 7 11 23 1 8 22 35 1 9 22 15 1 10 37 23 1 11 26 14 1 12 29 17 1 13 7 18 1 14 43 9 1 15 20 23 1 16 20 18 1 17 20 2 1 18 24 12 1 19 23 36 1 20 3 15 1 21 3 21 1 22 8 42 1 23 8 19 1 24 18 17 1 25 18 30 1 26 15 12 1 27 15 27 1 28 9 21 1 29 2 14 1 30 14 1 1 31 14 16 1 32 17 6 1 33 17 16 1 34 12 1 1 35 12 13 1 36 40 6 1 37 21 19 1 38 21 33 1 39 16 28 1 40 16 5 1 41 19 13 1 42 19 32 1 43 13 4 1 44 13 25 1 45 38 4 1 46 39 5 1