@MOLECULE (1r)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl 3-hydroxy-3-methylbutanoate 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9869 -0.1789 0.0113 O.3 1 UNL1111111111 -0.4127 2 O -0.6782 -3.8507 1.5239 O.3 1 UNL1111111111 -0.5825 3 O -0.1099 0.8813 -1.7926 O.2 1 UNL1111111111 -0.4775 4 O -1.1811 -1.1980 1.8409 O.2 1 UNL1111111111 -0.5452 5 O 2.7150 1.6046 2.6508 O.2 1 UNL1111111111 -0.4731 6 O 2.0318 0.1152 -3.1115 O.3 1 UNL1111111111 -0.4623 7 O 4.9417 0.9179 1.4084 O.3 1 UNL1111111111 -0.4581 8 C -1.6182 1.0940 0.5749 C.3 1 UNL1111111111 0.1534 9 C -0.7958 -3.5341 0.1579 C.3 1 UNL1111111111 0.3882 10 C -0.1145 1.1694 0.5477 C.2 1 UNL1111111111 -0.1190 11 C -2.2825 2.1242 -0.3452 C.3 1 UNL1111111111 -0.2882 12 C -1.9637 -2.5213 -0.0274 C.3 1 UNL1111111111 -0.4384 13 C 0.5403 0.9212 -0.7628 C.2 1 UNL1111111111 0.4893 14 C 1.9915 0.7122 -0.7756 C.ar 1 UNL1111111111 -0.2648 15 C -1.6660 -1.2747 0.7348 C.2 1 UNL1111111111 0.6217 16 C 0.6057 1.3775 1.6550 C.2 1 UNL1111111111 -0.1745 17 C 2.7521 0.9202 0.4047 C.ar 1 UNL1111111111 -0.2623 18 C -1.1296 -4.8605 -0.5252 C.3 1 UNL1111111111 -0.4779 19 C 0.5260 -2.9469 -0.3463 C.3 1 UNL1111111111 -0.5168 20 C 2.0857 1.3326 1.6428 C.2 1 UNL1111111111 0.4850 21 C -3.6580 2.4367 0.1397 C.2 1 UNL1111111111 -0.2610 22 C 2.6457 0.3216 -1.9362 C.ar 1 UNL1111111111 0.3125 23 C 4.1262 0.7274 0.3622 C.ar 1 UNL1111111111 0.3170 24 C -4.7721 1.8475 -0.3165 C.2 1 UNL1111111111 0.0883 25 C 4.0560 0.0997 -1.9647 C.ar 1 UNL1111111111 -0.1594 26 C 4.7875 0.3008 -0.8299 C.ar 1 UNL1111111111 -0.1568 27 C -6.1163 2.2087 0.2271 C.3 1 UNL1111111111 -0.4623 28 C -4.7755 0.8062 -1.3847 C.3 1 UNL1111111111 -0.4648 29 H -2.0227 1.1398 1.6141 H 1 UNL1111111111 0.1576 30 H -2.2901 1.7347 -1.3906 H 1 UNL1111111111 0.1863 31 H -1.6664 3.0453 -0.3958 H 1 UNL1111111111 0.1580 32 H -2.1350 -2.3198 -1.1030 H 1 UNL1111111111 0.1868 33 H -2.9039 -2.9736 0.3567 H 1 UNL1111111111 0.1933 34 H 0.1561 1.5508 2.6388 H 1 UNL1111111111 0.1962 35 H -0.3356 -5.5963 -0.3357 H 1 UNL1111111111 0.1664 36 H -1.2396 -4.7472 -1.6063 H 1 UNL1111111111 0.1492 37 H -2.0523 -5.2934 -0.1193 H 1 UNL1111111111 0.1603 38 H 1.3450 -3.6610 -0.1863 H 1 UNL1111111111 0.1686 39 H 0.4897 -2.7145 -1.4141 H 1 UNL1111111111 0.1553 40 H 0.8017 -2.0350 0.1949 H 1 UNL1111111111 0.1563 41 H -3.7010 3.1954 0.9177 H 1 UNL1111111111 0.1478 42 H -0.6121 -3.0329 2.0691 H 1 UNL1111111111 0.3502 43 H 4.5091 -0.2220 -2.9040 H 1 UNL1111111111 0.1838 44 H 5.8682 0.1509 -0.7954 H 1 UNL1111111111 0.1847 45 H -6.8021 2.5130 -0.5763 H 1 UNL1111111111 0.1563 46 H -6.0781 3.0351 0.9486 H 1 UNL1111111111 0.1524 47 H -6.5753 1.3519 0.7418 H 1 UNL1111111111 0.1586 48 H -3.9880 0.0532 -1.2177 H 1 UNL1111111111 0.1724 49 H -4.5828 1.2541 -2.3709 H 1 UNL1111111111 0.1593 50 H -5.7278 0.2673 -1.4521 H 1 UNL1111111111 0.1491 51 H 1.0392 0.3208 -3.0360 H 1 UNL1111111111 0.3753 52 H 4.4180 1.2301 2.2231 H 1 UNL1111111111 0.3778 @BOND 1 1 8 1 2 1 15 1 3 2 9 1 4 2 42 1 5 3 13 2 6 4 15 2 7 5 20 2 8 6 22 1 9 6 51 1 10 7 23 1 11 7 52 1 12 8 10 1 13 8 11 1 14 8 29 1 15 9 12 1 16 9 18 1 17 9 19 1 18 10 13 1 19 10 16 2 20 11 21 1 21 11 30 1 22 11 31 1 23 12 15 1 24 12 32 1 25 12 33 1 26 13 14 1 27 14 17 ar 28 14 22 ar 29 16 20 1 30 16 34 1 31 17 20 1 32 17 23 ar 33 18 35 1 34 18 36 1 35 18 37 1 36 19 38 1 37 19 39 1 38 19 40 1 39 21 24 2 40 21 41 1 41 22 25 ar 42 23 26 ar 43 24 27 1 44 24 28 1 45 25 26 ar 46 25 43 1 47 26 44 1 48 27 45 1 49 27 46 1 50 27 47 1 51 28 48 1 52 28 49 1 53 28 50 1