@MOLECULE 3-{[3-(5,9-dimethyl-4-oxo-2-phenyl-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-5-yl)propanoyl]amino}-2,4-dihydroxybenzoic acid 71 76 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.6076 -1.1468 -2.4623 O.3 1 UNL1111111111 -0.4239 2 O 0.7804 0.0318 2.6701 O.2 1 UNL1111111111 -0.4769 3 O -2.3248 -0.9804 -0.9226 O.2 1 UNL1111111111 -0.5154 4 O -5.3486 -3.0336 1.0235 O.3 1 UNL1111111111 -0.4469 5 O -3.9092 1.3085 0.1286 O.3 1 UNL1111111111 -0.4114 6 O -7.6282 2.1901 -1.6031 O.3 1 UNL1111111111 -0.5395 7 O -5.6069 2.9670 -1.0973 O.2 1 UNL1111111111 -0.5765 8 N -3.3456 -1.1826 1.0895 N.am 1 UNL1111111111 -0.5550 9 C -2.2252 -1.2019 0.2631 C.2 1 UNL1111111111 0.6017 10 C -0.9286 -1.5285 0.9685 C.3 1 UNL1111111111 -0.3589 11 C 0.2348 -0.9750 0.1405 C.3 1 UNL1111111111 -0.2489 12 C 1.6339 -1.1609 0.7811 C.3 1 UNL1111111111 -0.0258 13 C 1.7516 -0.2688 2.0197 C.2 1 UNL1111111111 0.4754 14 C 3.1139 0.1644 2.4930 C.3 1 UNL1111111111 -0.3931 15 C 4.0209 0.6825 1.3749 C.3 1 UNL1111111111 -0.1361 16 C 4.0723 -0.3104 0.2077 C.3 1 UNL1111111111 0.0606 17 C 2.6652 -0.7507 -0.2930 C.3 1 UNL1111111111 -0.2002 18 C 2.8416 -1.7964 -1.4408 C.3 1 UNL1111111111 0.1301 19 C 3.7787 -2.9771 -1.0989 C.3 1 UNL1111111111 -0.3347 20 C 5.0848 -2.1928 -0.8825 C.3 1 UNL1111111111 -0.1518 21 C 4.9797 -1.5335 0.5082 C.3 1 UNL1111111111 -0.3048 22 C 4.8184 0.2740 -1.0277 C.3 1 UNL1111111111 -0.3551 23 C 4.9235 -0.9891 -1.9043 C.3 1 UNL1111111111 0.2809 24 C 5.9040 -0.9418 -3.0460 C.3 1 UNL1111111111 -0.4835 25 C 1.7971 -2.5858 1.3178 C.3 1 UNL1111111111 -0.4533 26 C -6.3850 2.0300 -1.0866 C.2 1 UNL1111111111 0.6934 27 C -6.1426 0.7025 -0.5573 C.ar 1 UNL1111111111 -0.3903 28 C -4.8851 0.4097 0.0184 C.ar 1 UNL1111111111 0.4060 29 C -4.6127 -0.8760 0.5476 C.ar 1 UNL1111111111 -0.0547 30 C -5.6359 -1.8298 0.4825 C.ar 1 UNL1111111111 0.3454 31 C -6.8939 -1.5510 -0.0823 C.ar 1 UNL1111111111 -0.3949 32 C -7.1298 -0.2941 -0.6051 C.ar 1 UNL1111111111 0.0732 33 C 4.6544 3.0103 0.7378 C.ar 1 UNL1111111111 -0.1781 34 C 2.3199 2.4259 0.6226 C.ar 1 UNL1111111111 -0.1677 35 C 4.3588 4.2904 0.2777 C.ar 1 UNL1111111111 -0.1377 36 C 3.0421 4.6415 -0.0154 C.ar 1 UNL1111111111 -0.1610 37 C 2.0244 3.7077 0.1611 C.ar 1 UNL1111111111 -0.1249 38 C 3.6365 2.0647 0.9073 C.ar 1 UNL1111111111 0.0017 39 H -6.0991 -3.6746 0.9283 H 1 UNL1111111111 0.3325 40 H -4.1672 2.1913 -0.3096 H 1 UNL1111111111 0.3735 41 H -7.7779 3.1037 -1.9610 H 1 UNL1111111111 0.3594 42 H -3.3103 -1.4213 2.0663 H 1 UNL1111111111 0.3196 43 H -0.9092 -1.0969 1.9936 H 1 UNL1111111111 0.1924 44 H -0.8484 -2.6261 1.0885 H 1 UNL1111111111 0.1610 45 H 0.2135 -1.4501 -0.8636 H 1 UNL1111111111 0.1611 46 H 0.0568 0.1058 -0.0487 H 1 UNL1111111111 0.1608 47 H 3.0003 0.9470 3.2762 H 1 UNL1111111111 0.1814 48 H 3.5956 -0.6948 3.0050 H 1 UNL1111111111 0.1671 49 H 5.0595 0.7453 1.8068 H 1 UNL1111111111 0.1518 50 H 2.2426 0.1645 -0.8028 H 1 UNL1111111111 0.1712 51 H 1.8908 -2.0774 -1.9181 H 1 UNL1111111111 0.1425 52 H 3.4816 -3.5800 -0.2385 H 1 UNL1111111111 0.1469 53 H 3.8503 -3.6662 -1.9566 H 1 UNL1111111111 0.1489 54 H 5.9959 -2.7765 -1.0325 H 1 UNL1111111111 0.1355 55 H 5.9653 -1.2184 0.8829 H 1 UNL1111111111 0.1375 56 H 4.5603 -2.2037 1.2682 H 1 UNL1111111111 0.1396 57 H 4.2546 1.0731 -1.5333 H 1 UNL1111111111 0.1686 58 H 5.7958 0.6941 -0.7638 H 1 UNL1111111111 0.1455 59 H 5.6519 -0.1323 -3.7465 H 1 UNL1111111111 0.1674 60 H 6.9284 -0.7788 -2.6949 H 1 UNL1111111111 0.1523 61 H 5.8846 -1.8754 -3.6241 H 1 UNL1111111111 0.1609 62 H 1.5235 -3.3277 0.5573 H 1 UNL1111111111 0.1586 63 H 2.8269 -2.7878 1.6337 H 1 UNL1111111111 0.1464 64 H 1.1530 -2.7660 2.1890 H 1 UNL1111111111 0.1542 65 H -7.6595 -2.3176 -0.1141 H 1 UNL1111111111 0.1704 66 H -8.0990 -0.0622 -1.0619 H 1 UNL1111111111 0.1719 67 H 5.6857 2.7477 0.9622 H 1 UNL1111111111 0.1458 68 H 1.5026 1.7200 0.7614 H 1 UNL1111111111 0.1610 69 H 5.1573 5.0174 0.1461 H 1 UNL1111111111 0.1440 70 H 2.8115 5.6402 -0.3778 H 1 UNL1111111111 0.1475 71 H 0.9919 3.9764 -0.0602 H 1 UNL1111111111 0.1553 @BOND 1 1 18 1 2 1 23 1 3 4 39 1 4 5 40 1 5 6 41 1 6 7 26 2 7 8 9 am 8 8 42 1 9 9 3 2 10 9 10 1 11 10 11 1 12 10 43 1 13 10 44 1 14 11 12 1 15 11 45 1 16 11 46 1 17 12 13 1 18 13 2 2 19 13 14 1 20 14 47 1 21 14 48 1 22 15 14 1 23 15 38 1 24 15 49 1 25 16 15 1 26 17 12 1 27 17 16 1 28 17 50 1 29 18 17 1 30 18 51 1 31 19 18 1 32 19 20 1 33 19 52 1 34 19 53 1 35 20 23 1 36 20 21 1 37 20 54 1 38 21 16 1 39 21 55 1 40 21 56 1 41 22 16 1 42 22 57 1 43 22 58 1 44 23 22 1 45 24 23 1 46 24 59 1 47 24 60 1 48 24 61 1 49 25 12 1 50 25 62 1 51 25 63 1 52 25 64 1 53 26 6 1 54 26 27 1 55 27 28 ar 56 28 5 1 57 28 29 ar 58 29 8 1 59 30 4 1 60 30 29 ar 61 31 30 ar 62 31 65 1 63 32 27 ar 64 32 31 ar 65 32 66 1 66 33 35 ar 67 33 67 1 68 34 37 ar 69 34 68 1 70 35 36 ar 71 35 69 1 72 36 70 1 73 37 36 ar 74 37 71 1 75 38 33 ar 76 38 34 ar