@MOLECULE methyl (11beta,13xi)-15-{[(2e)-3,4-dimethyl-2-pentenoyl]oxy}-2,11,12-trihydroxy-1,16-dioxo-13,20-epoxypicrasan-21-oate 77 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.4318 -1.8697 0.6612 C.3 1 UNL1 0.1411 2 C -1.8374 -0.4960 0.0637 C.3 1 UNL1 -0.1712 3 C -1.0082 -0.1297 -1.1869 C.3 1 UNL1 -0.0472 4 C 0.5020 -0.0142 -0.8164 C.3 1 UNL1 -0.2195 5 C 0.7726 -1.5036 -0.5494 C.3 1 UNL1 0.1119 6 C 0.1124 -2.0304 0.7484 C.3 1 UNL1 0.0709 7 C -5.5565 -0.1402 1.2300 C.3 1 UNL1 0.0510 8 C -5.8085 1.2553 0.6472 C.3 1 UNL1 -0.3323 9 C -5.1580 1.4154 -0.7382 C.3 1 UNL1 -0.0965 10 C -4.0521 -0.3809 1.2337 C.2 1 UNL1 0.4004 11 C -3.3657 -0.3301 -0.1296 C.3 1 UNL1 -0.0275 12 C -3.6436 1.1147 -0.6498 C.3 1 UNL1 -0.1282 13 C -2.9345 1.3243 -1.9910 C.3 1 UNL1 -0.3102 14 C -1.4204 1.2002 -1.8015 C.3 1 UNL1 0.1251 15 O -1.0950 2.3022 -0.9556 O.3 1 UNL1 -0.4363 16 C -0.0784 2.3124 -0.0543 C.2 1 UNL1 0.5681 17 C 0.7474 1.0529 0.2296 C.3 1 UNL1 0.0218 18 O 0.4935 -1.3231 1.8912 O.3 1 UNL1 -0.5720 19 O -1.9522 -2.9658 -0.0444 O.3 1 UNL1 -0.5730 20 C -0.8978 -1.2953 -2.1861 C.3 1 UNL1 -0.0642 21 O 0.1058 -2.1724 -1.6389 O.3 1 UNL1 -0.3969 22 C 2.2339 -1.8927 -0.7041 C.2 1 UNL1 0.5738 23 O 2.3796 -3.2069 -0.4359 O.3 1 UNL1 -0.3762 24 O 3.1411 -1.1745 -1.0332 O.2 1 UNL1 -0.5005 25 C 3.7035 -3.7263 -0.5300 C.3 1 UNL1 -0.1733 26 O 2.0815 1.5278 0.0932 O.3 1 UNL1 -0.4023 27 C 3.0756 0.8559 0.7447 C.2 1 UNL1 0.6933 28 C 4.3551 1.4835 0.4657 C.2 1 UNL1 -0.3867 29 O 2.8410 -0.1042 1.4489 O.2 1 UNL1 -0.5956 30 C 5.5219 0.8912 0.7858 C.2 1 UNL1 0.2042 31 C 6.8616 1.5139 0.4829 C.3 1 UNL1 -0.1057 32 C 5.5737 -0.4402 1.4461 C.3 1 UNL1 -0.4897 33 C -3.9985 -1.4028 -1.0113 C.3 1 UNL1 -0.4571 34 O -6.0975 -0.1966 2.5264 O.3 1 UNL1 -0.5394 35 O -3.4634 -0.5099 2.2763 O.2 1 UNL1 -0.4449 36 C -5.4115 2.8461 -1.2266 C.3 1 UNL1 -0.4545 37 O 0.0808 3.3520 0.5224 O.2 1 UNL1 -0.3989 38 C 7.3983 0.8788 -0.8081 C.3 1 UNL1 -0.4415 39 C 6.8060 3.0372 0.3415 C.3 1 UNL1 -0.4472 40 H 4.3044 2.4497 -0.0391 H 1 UNL1 0.1968 41 H -1.8803 -1.9916 1.6817 H 1 UNL1 0.1870 42 H -1.5599 0.2447 0.8725 H 1 UNL1 0.1757 43 H 1.1035 0.2819 -1.7248 H 1 UNL1 0.1927 44 H 0.3759 -3.1035 0.9134 H 1 UNL1 0.1604 45 H -6.1073 -0.9372 0.6812 H 1 UNL1 0.1580 46 H -5.4326 2.0271 1.3475 H 1 UNL1 0.1625 47 H -6.8997 1.4330 0.5879 H 1 UNL1 0.1610 48 H -5.6346 0.7059 -1.4546 H 1 UNL1 0.1362 49 H -3.2013 1.8384 0.0871 H 1 UNL1 0.1667 50 H -3.1643 2.3343 -2.3904 H 1 UNL1 0.1653 51 H -3.2885 0.6056 -2.7504 H 1 UNL1 0.1506 52 H -0.8744 1.4029 -2.7532 H 1 UNL1 0.1363 53 H 0.5523 0.7255 1.2854 H 1 UNL1 0.2063 54 H 1.4182 -0.9725 1.8222 H 1 UNL1 0.3633 55 H -1.3638 -3.2226 -0.7847 H 1 UNL1 0.3342 56 H -0.5408 -0.9912 -3.1829 H 1 UNL1 0.1348 57 H -1.8061 -1.9111 -2.2870 H 1 UNL1 0.1577 58 H 3.5502 -4.8042 -0.3921 H 1 UNL1 0.1531 59 H 4.3217 -3.3051 0.2696 H 1 UNL1 0.1384 60 H 4.1372 -3.5085 -1.5117 H 1 UNL1 0.1431 61 H 7.5650 1.2741 1.3239 H 1 UNL1 0.1481 62 H 4.9954 -1.1877 0.8699 H 1 UNL1 0.1887 63 H 5.0892 -0.4112 2.4398 H 1 UNL1 0.1902 64 H 6.5867 -0.8339 1.5795 H 1 UNL1 0.1527 65 H -3.9536 -2.3942 -0.5288 H 1 UNL1 0.1862 66 H -3.4841 -1.5005 -1.9724 H 1 UNL1 0.1489 67 H -5.0504 -1.1989 -1.2370 H 1 UNL1 0.1432 68 H -5.3885 -0.0944 3.2060 H 1 UNL1 0.3378 69 H -4.8209 3.5779 -0.6614 H 1 UNL1 0.1567 70 H -6.4667 3.1233 -1.1175 H 1 UNL1 0.1482 71 H -5.1601 2.9665 -2.2856 H 1 UNL1 0.1423 72 H 6.7316 1.0756 -1.6575 H 1 UNL1 0.1571 73 H 7.4933 -0.2088 -0.7160 H 1 UNL1 0.1467 74 H 8.3854 1.2789 -1.0633 H 1 UNL1 0.1475 75 H 6.2568 3.3467 -0.5557 H 1 UNL1 0.1532 76 H 7.8146 3.4614 0.2639 H 1 UNL1 0.1462 77 H 6.3198 3.5034 1.2071 H 1 UNL1 0.1533 @BOND 1 56 20 1 2 52 14 1 3 51 13 1 4 50 13 1 5 57 20 1 6 71 36 1 7 20 21 1 8 20 3 1 9 13 14 1 10 13 12 1 11 66 33 1 12 14 3 1 13 14 15 1 14 43 4 1 15 72 38 1 16 21 5 1 17 60 25 1 18 48 9 1 19 67 33 1 20 36 70 1 21 36 9 1 22 36 69 1 23 3 4 1 24 3 2 1 25 74 38 1 26 24 22 2 27 33 65 1 28 33 11 1 29 15 16 1 30 4 5 1 31 4 17 1 32 38 73 1 33 38 31 1 34 55 19 1 35 9 12 1 36 9 8 1 37 22 5 1 38 22 23 1 39 12 11 1 40 12 49 1 41 75 39 1 42 5 6 1 43 25 23 1 44 25 58 1 45 25 59 1 46 11 2 1 47 11 10 1 48 16 17 1 49 16 37 2 50 19 1 1 51 40 28 1 52 2 1 1 53 2 42 1 54 26 17 1 55 26 27 1 56 17 53 1 57 76 39 1 58 39 31 1 59 39 77 1 60 28 27 1 61 28 30 2 62 31 30 1 63 31 61 1 64 47 8 1 65 8 7 1 66 8 46 1 67 1 6 1 68 1 41 1 69 45 7 1 70 27 29 2 71 6 44 1 72 6 18 1 73 30 32 1 74 62 32 1 75 7 10 1 76 7 34 1 77 10 35 2 78 32 64 1 79 32 63 1 80 54 18 1 81 34 68 1