@MOLECULE 2-nitrophenyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2150 -0.6618 0.6486 O.3 1 UNL111111 -0.4400 2 O 3.3998 -0.8929 -0.0540 O.3 1 UNL111111 -0.4658 3 O -1.4238 -0.7651 -0.3945 O.3 1 UNL111111 -0.4837 4 O -0.3755 -3.8129 1.0932 O.3 1 UNL111111 -0.5735 5 O 1.8802 0.9136 2.7299 O.3 1 UNL111111 -0.5333 6 O -1.0412 -0.6930 2.6837 O.3 1 UNL111111 -0.5380 7 O 3.1098 3.0158 1.1047 O.3 1 UNL111111 -0.5647 8 O -3.0603 -0.3164 1.0803 O.3 1 UNL111111 -0.3671 9 O 3.2337 2.3160 -1.6845 O.3 1 UNL111111 -0.5535 10 O -1.7910 -2.2953 -2.6212 O.3 1 UNL111111 -0.5331 11 O 3.8680 -1.6231 -2.7369 O.3 1 UNL111111 -0.5383 12 O -0.5968 2.4675 -0.4296 O.2 1 UNL111111 -0.3770 13 O -1.2147 1.7090 1.4757 O.2 1 UNL111111 -0.4293 14 N -1.4226 1.9362 0.2911 N.pl3 1 UNL111111 0.6619 15 C 0.6454 -1.8912 0.2455 C.3 1 UNL111111 0.0495 16 C -0.0681 -2.4862 1.4757 C.3 1 UNL111111 0.0767 17 C -0.3184 -1.4981 -0.8792 C.3 1 UNL111111 0.0711 18 C 2.5637 -0.6960 1.0500 C.3 1 UNL111111 0.2664 19 C 2.7824 0.6990 1.6833 C.3 1 UNL111111 0.0422 20 C -1.3843 -1.7736 1.8638 C.3 1 UNL111111 0.0586 21 C 2.6283 1.7844 0.6045 C.3 1 UNL111111 0.0417 22 C 3.5372 1.4692 -0.5970 C.3 1 UNL111111 0.0794 23 C 3.2407 0.0479 -1.1138 C.3 1 UNL111111 0.0527 24 C -2.1977 -1.3623 0.6213 C.3 1 UNL111111 0.2712 25 C -0.8158 -2.7067 -1.6844 C.3 1 UNL111111 -0.0592 26 C 4.2691 -0.3995 -2.1583 C.3 1 UNL111111 -0.0182 27 C -3.4880 0.5313 0.0941 C.ar 1 UNL111111 0.2445 28 C -2.7223 1.6488 -0.2793 C.ar 1 UNL111111 -0.0960 29 C -4.7568 0.2878 -0.4563 C.ar 1 UNL111111 -0.1992 30 C -3.2131 2.5350 -1.2619 C.ar 1 UNL111111 -0.1123 31 C -5.2733 1.1668 -1.4134 C.ar 1 UNL111111 -0.1118 32 C -4.4435 2.2026 -1.7254 C.ar 1 UNL111111 -0.0080 33 H 1.4232 -2.5964 -0.1318 H 1 UNL111111 0.1592 34 H 0.6200 -2.4830 2.3542 H 1 UNL111111 0.1512 35 H 0.1456 -0.7256 -1.5505 H 1 UNL111111 0.1820 36 H 2.7963 -1.5512 1.7137 H 1 UNL111111 0.1411 37 H 3.7770 0.7589 2.1844 H 1 UNL111111 0.1704 38 H -2.0012 -2.4321 2.5234 H 1 UNL111111 0.1530 39 H 1.5640 1.9205 0.2977 H 1 UNL111111 0.1694 40 H 4.6089 1.6185 -0.3384 H 1 UNL111111 0.1446 41 H 2.2042 -0.0244 -1.5132 H 1 UNL111111 0.1585 42 H -2.8166 -2.1749 0.1890 H 1 UNL111111 0.1353 43 H -0.0149 -3.1553 -2.3018 H 1 UNL111111 0.1555 44 H -1.2675 -3.4919 -1.0495 H 1 UNL111111 0.1484 45 H 4.2969 0.3048 -3.0146 H 1 UNL111111 0.1659 46 H 5.2789 -0.5161 -1.7281 H 1 UNL111111 0.1262 47 H -0.4794 -4.3932 1.8720 H 1 UNL111111 0.3309 48 H 0.9495 0.7464 2.4350 H 1 UNL111111 0.3475 49 H -1.1948 0.1617 2.2226 H 1 UNL111111 0.3555 50 H 2.6317 3.2364 1.9364 H 1 UNL111111 0.3403 51 H 3.0889 3.2334 -1.3569 H 1 UNL111111 0.3418 52 H -2.2686 -1.5110 -2.2759 H 1 UNL111111 0.3199 53 H 3.7306 -2.2900 -2.0323 H 1 UNL111111 0.3162 54 H -5.3261 -0.5815 -0.1267 H 1 UNL111111 0.1843 55 H -2.6438 3.3999 -1.6074 H 1 UNL111111 0.2067 56 H -6.2513 1.0299 -1.8674 H 1 UNL111111 0.1823 @BOND 1 56 31 1 2 10 52 1 3 10 25 1 4 31 32 ar 5 31 29 ar 6 32 30 ar 7 43 25 1 8 25 44 1 9 25 17 1 10 54 29 1 11 29 27 ar 12 30 55 1 13 30 28 ar 14 11 53 1 15 11 26 1 16 35 17 1 17 45 26 1 18 17 3 1 19 17 15 1 20 42 24 1 21 3 24 1 22 27 28 ar 23 27 8 1 24 28 14 1 25 26 46 1 26 26 23 1 27 41 23 1 28 24 8 1 29 24 20 1 30 12 14 2 31 9 51 1 32 9 22 1 33 33 15 1 34 23 22 1 35 23 2 1 36 15 1 1 37 15 16 1 38 14 13 2 39 4 47 1 40 4 16 1 41 22 40 1 42 22 21 1 43 1 18 1 44 2 18 1 45 16 20 1 46 16 34 1 47 20 38 1 48 20 6 1 49 39 21 1 50 18 36 1 51 18 19 1 52 21 7 1 53 21 19 1 54 49 6 1 55 7 50 1 56 19 5 1 57 19 37 1 58 48 5 1