@MOLECULE 3-({3-[(1s,5s,6r,7s,9s,10s)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid 59 63 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.7592 1.9896 -0.8418 O.3 1 UNL1111111 -0.4292 2 O -1.4357 -3.2239 0.5737 O.2 1 UNL1111111 -0.4469 3 O 1.4367 0.5511 1.5704 O.2 1 UNL1111111 -0.5158 4 O 4.3454 -1.4173 -1.1360 O.3 1 UNL1111111 -0.4631 5 O 2.6525 2.6046 0.4946 O.3 1 UNL1111111 -0.4075 6 O 8.2357 -0.1857 -0.1544 O.3 1 UNL1111111 -0.5359 7 O 6.9871 -1.7830 -1.0690 O.2 1 UNL1111111 -0.5809 8 N 2.1820 0.0932 -0.5261 N.am 1 UNL1111111 -0.5402 9 C -4.5423 -0.7235 -0.5723 C.3 1 UNL1111111 0.0304 10 C -3.1674 -0.1874 -0.0623 C.3 1 UNL1111111 -0.1910 11 C -5.6634 1.1705 0.3667 C.3 1 UNL1111111 -0.1515 12 C -5.0983 1.5263 -1.0732 C.3 1 UNL1111111 0.2794 13 C -3.3197 1.3072 0.3415 C.3 1 UNL1111111 0.1257 14 C -5.7146 -0.3693 0.3838 C.3 1 UNL1111111 -0.2948 15 C -4.9249 0.1653 -1.7910 C.3 1 UNL1111111 -0.3501 16 C -4.5020 1.5814 1.2924 C.3 1 UNL1111111 -0.3280 17 C -2.4601 -1.0940 0.9561 C.3 1 UNL1111111 -0.0281 18 C -4.4978 -2.1758 -0.8829 C.2 1 UNL1111111 -0.0853 19 C -5.8284 2.5990 -1.8367 C.3 1 UNL1111111 -0.4834 20 C -2.3826 -2.5063 0.3586 C.2 1 UNL1111111 0.4545 21 C -1.0401 -0.5769 1.2669 C.3 1 UNL1111111 -0.2582 22 C -3.1855 -1.2728 2.2956 C.3 1 UNL1111111 -0.4548 23 C -3.5204 -2.9806 -0.4558 C.2 1 UNL1111111 -0.3061 24 C -0.1329 -0.4554 0.0394 C.3 1 UNL1111111 -0.3626 25 C 1.2071 0.0975 0.4725 C.2 1 UNL1111111 0.6047 26 C 3.4852 0.5499 -0.2385 C.ar 1 UNL1111111 -0.0498 27 C 4.6085 -0.2553 -0.5246 C.ar 1 UNL1111111 0.3672 28 C 3.7235 1.8048 0.3497 C.ar 1 UNL1111111 0.3616 29 C 5.9141 0.1648 -0.1988 C.ar 1 UNL1111111 -0.3772 30 C 5.0187 2.2197 0.7167 C.ar 1 UNL1111111 -0.3825 31 C 6.0965 1.4010 0.4426 C.ar 1 UNL1111111 0.0593 32 C 7.0353 -0.6960 -0.5202 C.2 1 UNL1111111 0.6926 33 H -2.5040 -0.1713 -0.9753 H 1 UNL1111111 0.1608 34 H -6.6167 1.6535 0.5955 H 1 UNL1111111 0.1402 35 H -2.3678 1.7841 0.6206 H 1 UNL1111111 0.1475 36 H -5.5961 -0.7895 1.3911 H 1 UNL1111111 0.1497 37 H -6.6714 -0.7557 0.0004 H 1 UNL1111111 0.1405 38 H -4.1407 0.2104 -2.5590 H 1 UNL1111111 0.1601 39 H -5.8434 -0.1710 -2.2862 H 1 UNL1111111 0.1466 40 H -4.5458 2.6495 1.5592 H 1 UNL1111111 0.1507 41 H -4.4706 1.0191 2.2315 H 1 UNL1111111 0.1517 42 H -5.3281 -2.5510 -1.4845 H 1 UNL1111111 0.1517 43 H -5.8567 3.5387 -1.2675 H 1 UNL1111111 0.1645 44 H -5.3214 2.8222 -2.7862 H 1 UNL1111111 0.1654 45 H -6.8594 2.3074 -2.0634 H 1 UNL1111111 0.1540 46 H -0.5561 -1.2645 1.9980 H 1 UNL1111111 0.1746 47 H -1.0988 0.3992 1.7899 H 1 UNL1111111 0.1592 48 H -2.6415 -1.9723 2.9472 H 1 UNL1111111 0.1627 49 H -3.2632 -0.3249 2.8399 H 1 UNL1111111 0.1555 50 H -4.1961 -1.6758 2.1662 H 1 UNL1111111 0.1489 51 H -3.4958 -4.0457 -0.6894 H 1 UNL1111111 0.1765 52 H -0.5753 0.2182 -0.7232 H 1 UNL1111111 0.1690 53 H -0.0138 -1.4502 -0.4409 H 1 UNL1111111 0.1797 54 H 2.0632 -0.4237 -1.3864 H 1 UNL1111111 0.3235 55 H 5.1602 3.1781 1.2041 H 1 UNL1111111 0.1718 56 H 7.1097 1.7133 0.7189 H 1 UNL1111111 0.1719 57 H 5.2001 -1.9446 -1.3051 H 1 UNL1111111 0.3841 58 H 2.8336 3.3684 1.1034 H 1 UNL1111111 0.3276 59 H 8.9913 -0.7901 -0.3776 H 1 UNL1111111 0.3594 @BOND 1 44 19 1 2 38 15 1 3 39 15 1 4 45 19 1 5 19 43 1 6 19 12 1 7 15 12 1 8 15 9 1 9 42 18 1 10 54 8 1 11 57 4 1 12 4 27 1 13 12 1 1 14 12 11 1 15 7 32 2 16 33 10 1 17 18 9 1 18 18 23 2 19 1 13 1 20 52 24 1 21 51 23 1 22 9 10 1 23 9 14 1 24 8 26 1 25 8 25 am 26 27 26 ar 27 27 29 ar 28 32 29 1 29 32 6 1 30 23 20 1 31 53 24 1 32 59 6 1 33 26 28 ar 34 29 31 ar 35 10 13 1 36 10 17 1 37 37 14 1 38 24 25 1 39 24 21 1 40 13 35 1 41 13 16 1 42 28 5 1 43 28 30 ar 44 20 2 2 45 20 17 1 46 11 14 1 47 11 34 1 48 11 16 1 49 14 36 1 50 31 30 ar 51 31 56 1 52 25 3 2 53 5 58 1 54 30 55 1 55 17 21 1 56 17 22 1 57 21 47 1 58 21 46 1 59 16 40 1 60 16 41 1 61 50 22 1 62 22 49 1 63 22 48 1