@MOLECULE 21,29-epoxylup-20(30)-ene-3,6,29-trione 34 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.8555 1.1980 1.5013 C.2 1 UNL1 -0.7145 2 C -5.8724 1.2501 2.3064 C.1 1 UNL1 0.5813 3 C -6.0585 -0.8843 -0.7474 C.1 1 UNL1 0.5597 4 C -3.4240 1.8878 1.5434 C.3 1 UNL1 0.4521 5 C -3.1626 1.2134 0.2459 C.3 1 UNL1 -0.4175 6 C -4.8720 -0.3046 -0.7288 C.2 1 UNL1 -0.4833 7 C -3.7977 -0.6664 -1.7330 C.2 1 UNL1 0.3820 8 C -2.6364 0.2489 -1.9270 C.3 1 UNL1 0.1124 9 C -0.7439 1.2477 -0.6672 C.3 1 UNL1 -0.3839 10 C -2.2318 1.0769 -0.8422 C.3 1 UNL1 -0.3264 11 C 1.2560 -0.2094 0.0099 C.1 1 UNL1 -0.2913 12 C 0.2650 0.5124 -0.2944 C.1 1 UNL1 0.2883 13 C 2.2469 -1.0498 0.2641 C.ar 1 UNL1 0.2460 14 C 2.0911 -2.4358 0.5826 C.ar 1 UNL1 -0.2838 15 C 3.1154 -3.3434 0.7428 C.ar 1 UNL1 -0.1384 16 C 4.4870 -3.0227 0.6326 C.ar 1 UNL1 -0.5202 17 C 3.6590 -0.7213 0.2082 C.ar 1 UNL1 -0.1887 18 C 4.6854 -1.6284 0.3654 C.ar 1 UNL1 -0.0290 19 C 6.1014 -0.9378 0.2040 C.3 1 UNL1 0.2875 20 C 4.2933 0.5802 -0.0136 C.2 1 UNL1 0.1550 21 C 5.6732 0.4235 0.0103 C.2 1 UNL1 -0.2017 22 O 6.3387 1.6119 -0.1752 O.3 1 UNL1 -0.2209 23 C 5.3348 2.5972 -0.3180 C.2 1 UNL1 0.6239 24 C 3.9886 1.9554 -0.2315 C.2 1 UNL1 -0.6920 25 O 5.6365 3.7406 -0.4679 O.2 1 UNL1 -0.4165 26 C 2.7988 2.5553 -0.3313 C.2 1 UNL1 0.6668 27 O -6.7632 1.3228 3.0441 O.2 1 UNL1 -0.2594 28 C -8.3582 -2.0214 -0.7720 C.3 1 UNL1 0.5496 29 C -7.2030 -1.4334 -0.7592 C.1 1 UNL1 -0.7550 30 C -4.4036 0.6082 0.2512 C.2 1 UNL1 0.2862 31 C -1.3690 2.3829 -1.2288 C.3 1 UNL1 0.5046 32 C 5.4962 -3.9092 0.7489 C.3 1 UNL1 0.6645 33 C 1.7192 -3.7799 0.8758 C.3 1 UNL1 0.3469 34 O -3.8777 -1.7133 -2.3248 O.2 1 UNL1 -0.3843 @BOND 1 34 7 2 2 8 7 1 3 8 10 1 4 7 6 1 5 31 10 1 6 31 9 1 7 10 9 1 8 10 5 1 9 28 29 1 10 29 3 3 11 3 6 1 12 6 30 2 13 9 12 1 14 25 23 2 15 26 24 2 16 23 24 1 17 23 22 1 18 12 11 3 19 24 20 1 20 22 21 1 21 20 21 2 22 20 17 1 23 11 13 1 24 21 19 1 25 19 18 1 26 17 13 ar 27 17 18 ar 28 5 30 1 29 5 4 1 30 30 1 1 31 13 14 ar 32 18 16 ar 33 14 15 ar 34 14 33 1 35 16 15 ar 36 16 32 1 37 15 33 1 38 1 4 1 39 1 2 2 40 2 27 2