@MOLECULE (1s)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl 3-methyl-2-butenoate 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2670 -0.2978 -0.7066 O.3 1 UNL1111111111 -0.4160 2 O 0.1375 0.2461 -2.1005 O.2 1 UNL1111111111 -0.4676 3 O 2.1196 1.7646 -2.8660 O.3 1 UNL1111111111 -0.4666 4 O 2.2134 -0.1905 2.7972 O.2 1 UNL1111111111 -0.4846 5 O 4.2427 1.3406 2.1190 O.3 1 UNL1111111111 -0.4652 6 O -2.7377 0.2383 1.4225 O.2 1 UNL1111111111 -0.5438 7 C -1.3573 -1.2965 -0.2376 C.3 1 UNL1111111111 0.1452 8 C -0.0526 -0.6193 0.0903 C.2 1 UNL1111111111 -0.0807 9 C -1.2381 -2.2837 -1.4098 C.3 1 UNL1111111111 -0.2937 10 C 1.8747 0.8450 -0.6507 C.ar 1 UNL1111111111 -0.2585 11 C 0.6127 0.1672 -0.9814 C.2 1 UNL1111111111 0.4907 12 C 2.4328 0.7340 0.6496 C.ar 1 UNL1111111111 -0.2591 13 C 0.4781 -0.7139 1.3154 C.2 1 UNL1111111111 -0.2023 14 C 1.7523 -0.0606 1.6748 C.2 1 UNL1111111111 0.4920 15 C -0.1570 -3.2726 -1.1327 C.2 1 UNL1111111111 -0.2421 16 C 2.5465 1.5989 -1.6042 C.ar 1 UNL1111111111 0.3109 17 C 3.6285 1.3828 0.9277 C.ar 1 UNL1111111111 0.3142 18 C -0.2564 -4.2906 -0.2672 C.2 1 UNL1111111111 0.0701 19 C 3.7750 2.2645 -1.3098 C.ar 1 UNL1111111111 -0.1595 20 C 4.3101 2.1593 -0.0577 C.ar 1 UNL1111111111 -0.1625 21 C -2.8954 0.4548 0.2430 C.2 1 UNL1111111111 0.6311 22 C 0.8923 -5.2174 -0.0336 C.3 1 UNL1111111111 -0.4607 23 C -1.4748 -4.5865 0.5415 C.3 1 UNL1111111111 -0.4595 24 C -3.7152 1.4706 -0.4016 C.2 1 UNL1111111111 -0.4036 25 C -4.4006 2.3942 0.2987 C.2 1 UNL1111111111 0.2212 26 C -5.2248 3.4249 -0.3940 C.3 1 UNL1111111111 -0.4787 27 C -4.3863 2.4579 1.7823 C.3 1 UNL1111111111 -0.4859 28 H -1.7961 -1.7965 0.6603 H 1 UNL1111111111 0.1522 29 H -1.0436 -1.7231 -2.3521 H 1 UNL1111111111 0.1816 30 H -2.2160 -2.7792 -1.5781 H 1 UNL1111111111 0.1558 31 H -0.0018 -1.2686 2.1287 H 1 UNL1111111111 0.1939 32 H 0.7597 -3.1048 -1.6960 H 1 UNL1111111111 0.1526 33 H 4.2513 2.8424 -2.1040 H 1 UNL1111111111 0.1822 34 H 5.2447 2.6466 0.2239 H 1 UNL1111111111 0.1826 35 H 1.8168 -4.8822 -0.5224 H 1 UNL1111111111 0.1542 36 H 0.6726 -6.2235 -0.4180 H 1 UNL1111111111 0.1548 37 H 1.1141 -5.3187 1.0382 H 1 UNL1111111111 0.1573 38 H -1.4131 -4.1120 1.5325 H 1 UNL1111111111 0.1605 39 H -1.6048 -5.6640 0.7104 H 1 UNL1111111111 0.1525 40 H -2.3970 -4.2274 0.0642 H 1 UNL1111111111 0.1559 41 H -3.7285 1.4387 -1.4922 H 1 UNL1111111111 0.1912 42 H 1.2374 1.2768 -3.0093 H 1 UNL1111111111 0.3772 43 H 3.7129 0.7727 2.7771 H 1 UNL1111111111 0.3781 44 H -6.2817 3.3559 -0.0935 H 1 UNL1111111111 0.1684 45 H -5.1947 3.3391 -1.4896 H 1 UNL1111111111 0.1642 46 H -4.8841 4.4415 -0.1417 H 1 UNL1111111111 0.1698 47 H -3.3566 2.5689 2.1703 H 1 UNL1111111111 0.1886 48 H -4.7450 1.5119 2.2281 H 1 UNL1111111111 0.1870 49 H -4.9890 3.2725 2.1981 H 1 UNL1111111111 0.1546 @BOND 1 1 7 1 2 1 21 1 3 2 11 2 4 3 16 1 5 3 42 1 6 4 14 2 7 5 17 1 8 5 43 1 9 6 21 2 10 7 8 1 11 7 9 1 12 7 28 1 13 8 11 1 14 8 13 2 15 9 15 1 16 9 29 1 17 9 30 1 18 10 11 1 19 10 12 ar 20 10 16 ar 21 12 14 1 22 12 17 ar 23 13 14 1 24 13 31 1 25 15 18 2 26 15 32 1 27 16 19 ar 28 17 20 ar 29 18 22 1 30 18 23 1 31 19 20 ar 32 19 33 1 33 20 34 1 34 21 24 1 35 22 35 1 36 22 36 1 37 22 37 1 38 23 38 1 39 23 39 1 40 23 40 1 41 24 25 2 42 24 41 1 43 25 26 1 44 25 27 1 45 26 44 1 46 26 45 1 47 26 46 1 48 27 47 1 49 27 48 1 50 27 49 1