@MOLECULE (2z)-6-methyl-2-{3-[(3ar,9r,9ar)-1,8,9-trihydroxy-1,4,7-trimethyl-5,6-dioxo-2,3,3a,4,5,6,9,9a-octahydro-1h-cyclopenta[b]naphthalen-4-yl]propylidene}-5-heptenoic acid 35 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.1802 4.6854 -0.4423 O.3 1 UNL1 -0.2462 2 O -3.0571 1.9609 -1.7199 O.2 1 UNL1 -0.3784 3 O -4.8536 -0.1955 -1.4227 O.2 1 UNL1 -0.3850 4 O -2.3318 -2.3267 2.1907 O.2 1 UNL1 -0.3172 5 O -2.0981 -3.7944 -0.3092 O.2 1 UNL1 -0.3960 6 O 1.5690 -2.0355 -2.1503 O.2 1 UNL1 -0.2909 7 O -0.4474 -1.3219 -1.2101 O.2 1 UNL1 -0.3801 8 C -0.9900 1.7006 1.2210 C.2 1 UNL1 0.0514 9 C -1.6651 2.2558 0.1425 C.2 1 UNL1 -0.1756 10 C -1.1686 0.2969 1.6672 C.3 1 UNL1 -0.1806 11 C -1.2183 3.6630 -0.0590 C.3 1 UNL1 -0.1646 12 C -0.1620 2.7434 1.7423 C.2 1 UNL1 -0.0470 13 C -0.3073 3.8570 1.0549 C.2 1 UNL1 0.0274 14 C -2.5878 1.5101 -0.7044 C.2 1 UNL1 0.4665 15 C -2.1408 -0.4319 0.7763 C.2 1 UNL1 0.0011 16 C -2.8283 0.1203 -0.2377 C.2 1 UNL1 -0.2220 17 C 0.0772 -0.4058 1.7385 C.1 1 UNL1 -0.0721 18 C -1.7918 0.3806 3.0622 C.3 1 UNL1 0.3109 19 C -1.3278 4.4614 -1.3892 C.3 1 UNL1 0.5126 20 C -2.3501 -1.8748 1.0809 C.2 1 UNL1 0.3340 21 C 1.1312 -1.0184 1.8078 C.1 1 UNL1 -0.0363 22 C -3.8468 -0.6758 -0.9741 C.2 1 UNL1 0.5404 23 C -3.5479 -2.1155 -1.1040 C.2 1 UNL1 -0.7894 24 C -2.6219 -2.7227 -0.1612 C.2 1 UNL1 0.4623 25 C 2.3047 -1.7401 1.8893 C.3 1 UNL1 -0.0843 26 C -4.1116 -2.8227 -2.0905 C.2 1 UNL1 0.6514 27 C 3.4685 -1.2959 1.3214 C.1 1 UNL1 -0.0002 28 C 4.5187 -0.9075 0.8098 C.1 1 UNL1 -0.0334 29 C 0.5639 -1.6809 -1.6796 C.1 1 UNL1 0.6707 30 C 5.6672 -0.4856 0.2498 C.1 1 UNL1 0.0097 31 C 6.7146 -0.1056 -0.2564 C.1 1 UNL1 -0.0243 32 C 7.8832 0.3162 -0.8148 C.3 1 UNL1 -0.2289 33 C 8.6216 1.1420 -1.5501 C.3 1 UNL1 -0.0187 34 C 9.3711 0.0957 -1.0008 C.3 1 UNL1 0.2383 35 H 2.2950 -2.7015 2.4203 H 1 UNL1 0.1945 @BOND 1 6 29 2 2 26 23 2 3 2 14 2 4 29 7 2 5 33 34 1 6 33 32 1 7 3 22 2 8 19 1 1 9 19 11 1 10 23 22 1 11 23 24 1 12 34 32 1 13 22 16 1 14 32 31 1 15 14 16 1 16 14 9 1 17 1 11 1 18 5 24 2 19 31 30 3 20 16 15 2 21 24 20 1 22 11 9 1 23 11 13 1 24 9 8 2 25 30 28 1 26 15 20 1 27 15 10 1 28 28 27 3 29 13 12 2 30 20 4 2 31 8 10 1 32 8 12 1 33 27 25 1 34 10 17 1 35 10 18 1 36 17 21 3 37 21 25 1 38 25 35 1