@MOLECULE (1s,2s,10r,11s,12s)-2,11,12-trimethyl-5-phenyl-9,13,14-trioxa-7-azatetracyclo[9.2.1.0~2,10~.0~3,8~]tetradeca-3(8),5-dien-4-one 43 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.3403 -0.2209 -1.5101 O.3 1 UNL1 -0.4056 2 O 3.2820 1.7195 -0.8882 O.3 1 UNL1 -0.4332 3 O 1.7650 -1.7038 0.9438 O.3 1 UNL1 -0.3510 4 O -1.3315 1.6806 0.0734 O.2 1 UNL1 -0.4910 5 N -0.5014 -2.2976 0.7554 N.ar 1 UNL1 -0.4188 6 C 1.5636 0.7048 0.4844 C.3 1 UNL1 0.0311 7 C 3.3547 -0.5936 -0.5448 C.3 1 UNL1 0.1755 8 C 2.5646 -0.4968 0.7869 C.3 1 UNL1 0.0322 9 C 2.0156 1.0647 -0.9709 C.3 1 UNL1 0.2899 10 C 4.2611 0.6850 -0.6634 C.3 1 UNL1 0.0912 11 C 0.2567 -0.0040 0.4746 C.ar 1 UNL1 -0.3962 12 C 1.6234 1.8739 1.4330 C.3 1 UNL1 -0.4555 13 C 3.9570 -1.9114 -0.9102 C.3 1 UNL1 -0.4650 14 C 0.4725 -1.3373 0.7109 C.ar 1 UNL1 0.4250 15 C 5.0903 1.0443 0.5507 C.3 1 UNL1 -0.4838 16 C -1.0673 0.5106 0.2501 C.ar 1 UNL1 0.5166 17 C -2.1071 -0.5561 0.2627 C.ar 1 UNL1 -0.2095 18 C -1.8088 -1.8604 0.5081 C.ar 1 UNL1 0.0492 19 C -3.4824 -0.1472 -0.0105 C.ar 1 UNL1 0.0185 20 C -4.2504 -0.8421 -0.9509 C.ar 1 UNL1 -0.1637 21 C -4.0314 0.9516 0.6590 C.ar 1 UNL1 -0.1175 22 C -5.5611 -0.4477 -1.2068 C.ar 1 UNL1 -0.1528 23 C -5.3433 1.3394 0.4013 C.ar 1 UNL1 -0.1521 24 C -6.1099 0.6396 -0.5293 C.ar 1 UNL1 -0.1492 25 H 3.1514 -0.4326 1.7068 H 1 UNL1 0.1554 26 H 1.3458 1.6235 -1.6241 H 1 UNL1 0.1752 27 H 4.8694 0.6459 -1.5903 H 1 UNL1 0.1434 28 H 1.5349 1.5619 2.4790 H 1 UNL1 0.1490 29 H 2.5470 2.4562 1.3180 H 1 UNL1 0.1614 30 H 0.7808 2.5629 1.2336 H 1 UNL1 0.1881 31 H 4.2678 -1.9296 -1.9664 H 1 UNL1 0.1721 32 H 4.8337 -2.1455 -0.2938 H 1 UNL1 0.1586 33 H 3.2327 -2.7317 -0.7837 H 1 UNL1 0.1724 34 H 4.4684 1.3648 1.3970 H 1 UNL1 0.1639 35 H 5.7135 0.2050 0.8774 H 1 UNL1 0.1517 36 H 5.7576 1.8896 0.3282 H 1 UNL1 0.1644 37 H -0.2892 -3.2654 0.9320 H 1 UNL1 0.3281 38 H -2.5695 -2.6480 0.5346 H 1 UNL1 0.1738 39 H -3.8187 -1.6776 -1.4963 H 1 UNL1 0.1485 40 H -3.4211 1.5142 1.3672 H 1 UNL1 0.1698 41 H -6.1553 -0.9853 -1.9420 H 1 UNL1 0.1454 42 H -5.7665 2.1958 0.9221 H 1 UNL1 0.1493 43 H -7.1330 0.9466 -0.7318 H 1 UNL1 0.1451 @BOND 1 31 13 1 2 41 22 1 3 26 9 1 4 27 10 1 5 1 9 1 6 1 7 1 7 39 20 1 8 22 20 ar 9 22 24 ar 10 9 2 1 11 9 6 1 12 20 19 ar 13 13 33 1 14 13 7 1 15 13 32 1 16 2 10 1 17 43 24 1 18 10 7 1 19 10 15 1 20 7 8 1 21 24 23 ar 22 19 17 1 23 19 21 ar 24 4 16 2 25 16 17 ar 26 16 11 ar 27 17 18 ar 28 36 15 1 29 23 21 ar 30 23 42 1 31 11 6 1 32 11 14 ar 33 6 8 1 34 6 12 1 35 18 38 1 36 18 5 ar 37 15 35 1 38 15 34 1 39 21 40 1 40 14 5 ar 41 14 3 1 42 5 37 1 43 8 3 1 44 8 25 1 45 30 12 1 46 29 12 1 47 12 28 1