@MOLECULE (1e)-3-oxo-5-(3-pyridinyl)-1-penten-1-yl (1r)-4-(2h-cyclopenta[b]furan-5-yl)-3-oxo-4-phenylcyclohexanecarboxylate 38 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.5209 -1.4133 1.5548 O.2 1 UNL1 -0.2794 2 O -3.7128 4.4397 1.5507 O.2 1 UNL1 -0.2256 3 O 1.3472 -1.7076 0.8133 O.3 1 UNL1 -0.3683 4 O 0.3738 -3.2758 2.1275 O.2 1 UNL1 -0.4098 5 O 5.3030 -2.7159 1.6002 O.2 1 UNL1 -0.4151 6 N 8.3561 2.5734 -2.1460 N.2 1 UNL1 -0.3764 7 C -3.4965 -0.2919 -0.3900 C.3 1 UNL1 0.0670 8 C -2.0989 -0.3474 -0.7477 C.2 1 UNL1 -0.0510 9 C -1.0809 -0.8945 -0.2981 C.2 1 UNL1 -0.0617 10 C -0.9483 -1.7324 0.8499 C.2 1 UNL1 -0.0630 11 C -2.1894 -1.7962 1.3361 C.2 1 UNL1 0.0290 12 C -3.4938 -1.2519 0.9770 C.2 1 UNL1 0.4047 13 C -3.9667 1.0267 0.0522 C.2 1 UNL1 -0.1548 14 C -4.3777 -0.9258 -1.4022 C.3 1 UNL1 -0.0280 15 C -5.1979 1.5834 0.0474 C.2 1 UNL1 0.1460 16 C -3.1345 2.0733 0.6620 C.2 1 UNL1 0.0929 17 C 0.2669 -2.3614 1.3629 C.2 1 UNL1 0.6027 18 C -5.3134 2.8879 0.5800 C.2 1 UNL1 -0.1526 19 C -3.7676 3.1709 1.0018 C.2 1 UNL1 -0.0525 20 C -4.7605 -0.3326 -2.6054 C.2 1 UNL1 0.0228 21 C -4.9431 -2.1967 -1.3003 C.2 1 UNL1 0.0018 22 C -5.8506 4.0204 0.9548 C.2 1 UNL1 -0.0569 23 C -4.8985 5.0217 1.5662 C.3 1 UNL1 0.3668 24 C -5.5486 -0.8914 -3.5089 C.2 1 UNL1 -0.0321 25 C -5.7336 -2.7476 -2.2055 C.2 1 UNL1 -0.0304 26 C -6.0566 -2.1124 -3.3328 C.3 1 UNL1 0.0480 27 C 2.6043 -2.1255 1.1639 C.2 1 UNL1 0.2105 28 C 3.6037 -1.3953 0.6451 C.2 1 UNL1 -0.3981 29 C 4.9966 -1.7432 0.9448 C.2 1 UNL1 0.5165 30 C 5.9796 -0.8468 0.4133 C.1 1 UNL1 -0.1310 31 C 6.8132 -0.0861 -0.0338 C.1 1 UNL1 0.0029 32 C 7.7607 0.7933 -0.5493 C.3 1 UNL1 -0.1196 33 C 9.0855 0.9470 -0.1504 C.2 1 UNL1 0.1202 34 C 7.5392 1.7078 -1.5916 C.2 1 UNL1 0.2493 35 C 9.9733 1.7709 -0.6286 C.2 1 UNL1 -0.1800 36 C 9.5892 2.5959 -1.6483 C.3 1 UNL1 0.3232 37 H 2.6791 -2.9954 1.8173 H 1 UNL1 0.1852 38 H 3.4220 -0.5371 -0.0007 H 1 UNL1 0.1969 @BOND 1 24 26 1 2 24 20 2 3 26 25 1 4 20 14 1 5 25 21 2 6 6 36 1 7 6 34 2 8 36 35 1 9 34 32 1 10 14 21 1 11 14 7 1 12 8 7 1 13 8 9 2 14 35 33 2 15 32 33 1 16 32 31 1 17 7 13 1 18 7 12 1 19 9 10 1 20 31 30 3 21 38 28 1 22 15 13 2 23 15 18 1 24 13 16 1 25 30 29 1 26 18 22 2 27 18 19 1 28 28 29 1 29 28 27 2 30 16 19 2 31 3 27 1 32 3 17 1 33 10 11 2 34 10 17 1 35 29 5 2 36 22 23 1 37 12 11 1 38 12 1 2 39 19 2 1 40 27 37 1 41 17 4 2 42 2 23 1