@MOLECULE 2-[1-(ethoxyamino)propylidene]-5-mesityl-1,3-cyclohexanedione 51 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.5066 -1.6644 -1.3618 O.2 1 UNL1 -0.5920 2 O -1.1992 1.9446 1.5920 O.2 1 UNL1 -0.5354 3 O -5.0019 -0.6112 -0.5502 O.3 1 UNL1 -0.1563 4 N -3.6436 -0.8124 -0.3230 N.4 1 UNL1 -0.3430 5 C 1.3208 -0.1662 0.2137 C.3 1 UNL1 -0.0697 6 C 0.6086 -0.7221 -1.0225 C.3 1 UNL1 -0.3813 7 C 0.7652 1.2197 0.5509 C.3 1 UNL1 -0.3891 8 C 2.8222 -0.1513 0.0787 C.ar 1 UNL1 -0.1031 9 C -0.8817 -0.7750 -0.7963 C.2 1 UNL1 0.5539 10 C -0.7307 1.1703 0.7815 C.2 1 UNL1 0.5438 11 C -1.5360 0.2180 0.0320 C.3 1 UNL1 -0.5592 12 C 3.5868 -0.8398 1.0407 C.ar 1 UNL1 0.0627 13 C 3.4960 0.5227 -0.9486 C.ar 1 UNL1 0.0684 14 C -2.9330 0.2599 0.1132 C.3 1 UNL1 0.4137 15 C 4.9784 -0.8603 0.9648 C.ar 1 UNL1 -0.2488 16 C 4.8944 0.4912 -1.0172 C.ar 1 UNL1 -0.2509 17 C 5.6411 -0.1968 -0.0675 C.ar 1 UNL1 0.0699 18 C 2.9582 -1.5752 2.1819 C.3 1 UNL1 -0.4563 19 C 2.8160 1.2937 -2.0346 C.3 1 UNL1 -0.4554 20 C -3.7025 1.4026 0.7103 C.3 1 UNL1 -0.3101 21 C 7.1296 -0.2399 -0.1481 C.3 1 UNL1 -0.4559 22 C -3.6568 2.5985 -0.2422 C.3 1 UNL1 -0.4140 23 C -5.7714 -1.4326 0.3573 C.3 1 UNL1 -0.0796 24 C -7.1986 -1.0358 0.0169 C.3 1 UNL1 -0.4610 25 H 1.0321 -0.8432 1.0666 H 1 UNL1 0.1545 26 H 0.9923 -1.7351 -1.2685 H 1 UNL1 0.1808 27 H 0.8027 -0.1192 -1.9307 H 1 UNL1 0.1768 28 H 0.9764 1.9572 -0.2498 H 1 UNL1 0.1711 29 H 1.2688 1.6294 1.4519 H 1 UNL1 0.1789 30 H 5.5560 -1.3967 1.7133 H 1 UNL1 0.1550 31 H 5.4032 1.0112 -1.8253 H 1 UNL1 0.1538 32 H 2.3424 -0.9070 2.8027 H 1 UNL1 0.1639 33 H 2.3181 -2.3972 1.8270 H 1 UNL1 0.1629 34 H 3.7018 -2.0260 2.8530 H 1 UNL1 0.1538 35 H 3.4466 2.1109 -2.4142 H 1 UNL1 0.1546 36 H 2.5952 0.6397 -2.8927 H 1 UNL1 0.1618 37 H 1.8741 1.7591 -1.7125 H 1 UNL1 0.1610 38 H -4.7550 1.1325 0.9294 H 1 UNL1 0.1586 39 H -3.2631 1.6892 1.6990 H 1 UNL1 0.2076 40 H 7.5385 0.5126 -0.8351 H 1 UNL1 0.1548 41 H 7.5956 -0.0675 0.8325 H 1 UNL1 0.1585 42 H 7.4721 -1.2238 -0.5036 H 1 UNL1 0.1618 43 H -3.2618 -1.5135 -0.9769 H 1 UNL1 0.3668 44 H -4.0793 2.3559 -1.2233 H 1 UNL1 0.1438 45 H -4.2239 3.4437 0.1664 H 1 UNL1 0.1500 46 H -2.6243 2.9469 -0.3896 H 1 UNL1 0.1629 47 H -5.5615 -2.4962 0.1519 H 1 UNL1 0.1367 48 H -5.4988 -1.2026 1.4006 H 1 UNL1 0.1368 49 H -7.9186 -1.6243 0.5986 H 1 UNL1 0.1603 50 H -7.3866 0.0253 0.2276 H 1 UNL1 0.1588 51 H -7.4204 -1.1984 -1.0471 H 1 UNL1 0.1628 @BOND 1 36 19 1 2 35 19 1 3 19 37 1 4 19 13 1 5 27 6 1 6 31 16 1 7 1 9 2 8 26 6 1 9 44 22 1 10 51 24 1 11 6 9 1 12 6 5 1 13 16 13 ar 14 16 17 ar 15 43 4 1 16 13 8 ar 17 40 21 1 18 9 11 1 19 3 4 1 20 3 23 1 21 42 21 1 22 46 22 1 23 4 14 1 24 28 7 1 25 22 45 1 26 22 20 1 27 21 17 1 28 21 41 1 29 17 15 ar 30 24 50 1 31 24 23 1 32 24 49 1 33 11 14 1 34 11 10 1 35 8 5 1 36 8 12 ar 37 14 20 1 38 47 23 1 39 5 7 1 40 5 25 1 41 23 48 1 42 7 10 1 43 7 29 1 44 20 38 1 45 20 39 1 46 10 2 2 47 15 12 ar 48 15 30 1 49 12 18 1 50 33 18 1 51 18 32 1 52 18 34 1