@MOLECULE n-(2-phenylethyl)-beta-d-glucopyranuronosylamine 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1665 -0.3822 -0.3583 O.3 1 UNL11111111 -0.0039 2 O -1.8445 3.1882 -0.2249 O.3 1 UNL11111111 -0.3924 3 O -3.4821 1.6724 1.4004 O.3 1 UNL11111111 -0.3073 4 O -4.6731 -0.6430 0.5634 O.3 1 UNL11111111 -0.3013 5 O -1.9800 -3.1646 0.8337 O.3 1 UNL11111111 -0.4630 6 O -2.6563 -2.7779 -1.2618 O.2 1 UNL11111111 -0.3149 7 N 0.3047 1.2640 -0.7523 N.3 1 UNL11111111 -0.7135 8 C -2.0834 1.8466 -0.5592 C.3 1 UNL11111111 -0.1946 9 C -3.4131 1.3516 0.0260 C.3 1 UNL11111111 -0.3952 10 C -0.9094 0.9900 -0.0108 C.3 1 UNL11111111 -0.1565 11 C -3.5788 -0.1663 -0.1695 C.3 1 UNL11111111 -0.3332 12 C -2.3023 -0.9083 0.2952 C.3 1 UNL11111111 -0.1630 13 C 1.5281 0.8058 -0.0684 C.3 1 UNL11111111 0.0396 14 C -2.3474 -2.3500 -0.1870 C.2 1 UNL11111111 0.3655 15 C 2.6939 0.8537 -1.0772 C.3 1 UNL11111111 -0.6970 16 C 3.9113 0.2698 -0.4330 C.ar 1 UNL11111111 0.2970 17 C 4.8161 1.0963 0.2360 C.ar 1 UNL11111111 -0.3446 18 C 4.1306 -1.1089 -0.4762 C.ar 1 UNL11111111 -0.3405 19 C 5.9331 0.5451 0.8598 C.ar 1 UNL11111111 -0.1660 20 C 5.2478 -1.6566 0.1492 C.ar 1 UNL11111111 -0.1661 21 C 6.1496 -0.8310 0.8186 C.ar 1 UNL11111111 -0.1907 22 H -2.0906 1.8378 -1.6759 H 1 UNL11111111 0.3103 23 H -4.2845 1.9164 -0.3846 H 1 UNL11111111 0.3107 24 H -0.8078 1.0591 1.0978 H 1 UNL11111111 0.1902 25 H -3.8270 -0.4249 -1.2289 H 1 UNL11111111 0.3238 26 H -2.1762 -0.8699 1.4020 H 1 UNL11111111 0.2413 27 H 0.3567 2.2209 -1.0921 H 1 UNL11111111 0.4757 28 H 1.7720 1.4119 0.8303 H 1 UNL11111111 0.1237 29 H 1.3740 -0.2460 0.2704 H 1 UNL11111111 0.1471 30 H -2.2464 3.4100 0.6474 H 1 UNL11111111 0.3353 31 H -2.7723 1.2310 1.9129 H 1 UNL11111111 0.3144 32 H -4.7900 -0.1299 1.3976 H 1 UNL11111111 0.3000 33 H 2.8713 1.8913 -1.4194 H 1 UNL11111111 0.2298 34 H 2.4105 0.2917 -1.9942 H 1 UNL11111111 0.2734 35 H -1.9936 -4.1265 0.6046 H 1 UNL11111111 0.3510 36 H 4.6497 2.1703 0.2712 H 1 UNL11111111 0.2276 37 H 3.4253 -1.7549 -0.9965 H 1 UNL11111111 0.2379 38 H 6.6375 1.1908 1.3804 H 1 UNL11111111 0.1853 39 H 5.4166 -2.7310 0.1157 H 1 UNL11111111 0.1858 40 H 7.0213 -1.2600 1.3069 H 1 UNL11111111 0.1786 @BOND 1 1 10 1 2 1 12 1 3 2 8 1 4 2 30 1 5 3 9 1 6 3 31 1 7 4 11 1 8 4 32 1 9 5 14 1 10 5 35 1 11 6 14 2 12 7 10 1 13 7 13 1 14 7 27 1 15 8 9 1 16 8 10 1 17 8 22 1 18 9 11 1 19 9 23 1 20 10 24 1 21 11 12 1 22 11 25 1 23 12 14 1 24 12 26 1 25 13 15 1 26 13 28 1 27 13 29 1 28 15 16 1 29 15 33 1 30 15 34 1 31 16 17 ar 32 16 18 ar 33 17 19 ar 34 17 36 1 35 18 20 ar 36 18 37 1 37 19 21 ar 38 19 38 1 39 20 21 ar 40 20 39 1 41 21 40 1