@MOLECULE geniposidic acid 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2811 0.5520 0.7450 O.3 1 UNL1111111111 -0.4164 2 O 1.8061 -0.2129 -0.7219 O.3 1 UNL1111111111 -0.4914 3 O -1.2777 1.4790 -0.5742 O.2 1 UNL1111111111 -0.3931 4 O 2.3011 2.3554 1.8114 O.3 1 UNL1111111111 -0.5537 5 O 4.8426 0.9223 1.7258 O.3 1 UNL1111111111 -0.5614 6 O 5.3698 0.1237 -0.9827 O.3 1 UNL1111111111 -0.5499 7 O -0.2389 -2.5677 2.6331 O.3 1 UNL1111111111 -0.5291 8 O 2.3314 -1.2783 -3.3370 O.3 1 UNL1111111111 -0.5340 9 O -5.8107 0.3129 0.0247 O.3 1 UNL1111111111 -0.5555 10 O -5.3616 2.2192 -1.0347 O.2 1 UNL1111111111 -0.5345 11 C -1.7535 -0.5472 0.8522 C.3 1 UNL1111111111 -0.1905 12 C -3.2540 -0.3957 0.4700 C.3 1 UNL1111111111 -0.0477 13 C -0.8041 0.2104 -0.0766 C.3 1 UNL1111111111 0.3282 14 C -3.5828 -1.6761 -0.3555 C.3 1 UNL1111111111 -0.2841 15 C -1.4909 -2.0255 0.6713 C.2 1 UNL1111111111 -0.1131 16 C 1.4685 0.9093 0.0765 C.3 1 UNL1111111111 0.2724 17 C 2.4866 1.0853 1.2253 C.3 1 UNL1111111111 0.0323 18 C 3.9209 1.1179 0.6738 C.3 1 UNL1111111111 0.0708 19 C -2.4823 -2.6312 0.0027 C.2 1 UNL1111111111 -0.1342 20 C -3.5523 0.8661 -0.2487 C.2 1 UNL1111111111 -0.3598 21 C 4.1670 -0.0724 -0.2737 C.3 1 UNL1111111111 0.0728 22 C 3.0719 -0.1134 -1.3579 C.3 1 UNL1111111111 0.0598 23 C -0.2461 -2.6244 1.2169 C.3 1 UNL1111111111 -0.0136 24 C -2.5828 1.7078 -0.6678 C.2 1 UNL1111111111 0.2473 25 C 3.1560 -1.3938 -2.1989 C.3 1 UNL1111111111 -0.0144 26 C -4.9397 1.2345 -0.4753 C.2 1 UNL1111111111 0.6708 27 H -1.5788 -0.2286 1.9083 H 1 UNL1111111111 0.1855 28 H -3.8567 -0.4259 1.4153 H 1 UNL1111111111 0.1644 29 H -0.4991 -0.3341 -0.9952 H 1 UNL1111111111 0.1490 30 H -3.5991 -1.4671 -1.4404 H 1 UNL1111111111 0.1609 31 H -4.5870 -2.0600 -0.1060 H 1 UNL1111111111 0.1636 32 H 1.3163 1.8025 -0.5607 H 1 UNL1111111111 0.1423 33 H 2.3590 0.2972 2.0041 H 1 UNL1111111111 0.1691 34 H 4.1494 2.0942 0.1875 H 1 UNL1111111111 0.1540 35 H -2.5491 -3.6677 -0.2774 H 1 UNL1111111111 0.1535 36 H 4.2378 -1.0262 0.2960 H 1 UNL1111111111 0.1527 37 H 3.0988 0.7918 -2.0049 H 1 UNL1111111111 0.1534 38 H 0.6587 -2.0341 0.9452 H 1 UNL1111111111 0.1663 39 H -0.0989 -3.6763 0.9075 H 1 UNL1111111111 0.1241 40 H -2.7241 2.6823 -1.1482 H 1 UNL1111111111 0.1867 41 H 2.8586 -2.2887 -1.6232 H 1 UNL1111111111 0.1323 42 H 4.1736 -1.5276 -2.6192 H 1 UNL1111111111 0.1655 43 H 1.3863 2.4306 2.1652 H 1 UNL1111111111 0.3383 44 H 4.6842 1.5849 2.4356 H 1 UNL1111111111 0.3407 45 H 6.1006 0.3037 -0.3467 H 1 UNL1111111111 0.3406 46 H -1.0698 -2.9377 2.9918 H 1 UNL1111111111 0.3094 47 H 1.4171 -1.0562 -3.0617 H 1 UNL1111111111 0.3170 48 H -6.7559 0.5672 -0.1208 H 1 UNL1111111111 0.3528 @BOND 1 1 13 1 2 1 16 1 3 2 16 1 4 2 22 1 5 3 13 1 6 3 24 1 7 4 17 1 8 4 43 1 9 5 18 1 10 5 44 1 11 6 21 1 12 6 45 1 13 7 23 1 14 7 46 1 15 8 25 1 16 8 47 1 17 9 26 1 18 9 48 1 19 10 26 2 20 11 12 1 21 11 13 1 22 11 15 1 23 11 27 1 24 12 14 1 25 12 20 1 26 12 28 1 27 13 29 1 28 14 19 1 29 14 30 1 30 14 31 1 31 15 19 2 32 15 23 1 33 16 17 1 34 16 32 1 35 17 18 1 36 17 33 1 37 18 21 1 38 18 34 1 39 19 35 1 40 20 24 2 41 20 26 1 42 21 22 1 43 21 36 1 44 22 25 1 45 22 37 1 46 23 38 1 47 23 39 1 48 24 40 1 49 25 41 1 50 25 42 1