@MOLECULE (6e)-6-[(adamantan-1-ylamino)methylene]-4-hydroxy-2,4-cyclohexadien-1-one 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5460 2.5713 0.0005 O.2 1 UNL111111111 -0.5444 2 O 4.7951 -2.3437 0.0015 O.2 1 UNL111111111 -0.4834 3 N -0.0470 -0.5626 -0.0056 N.pl3 1 UNL111111111 -0.5075 4 C -1.5061 -0.3069 -0.0028 C.3 1 UNL111111111 0.2635 5 C -3.4234 0.7187 -1.2551 C.3 1 UNL111111111 -0.0774 6 C -3.7485 -1.4384 -0.0029 C.3 1 UNL111111111 -0.0751 7 C -3.4195 0.7104 1.2624 C.3 1 UNL111111111 -0.0774 8 C -1.9018 0.4909 -1.2668 C.3 1 UNL111111111 -0.3240 9 C -2.2268 -1.6762 -0.0061 C.3 1 UNL111111111 -0.3284 10 C -1.8978 0.4829 1.2675 C.3 1 UNL111111111 -0.3242 11 C -4.1470 -0.6399 -1.2571 C.3 1 UNL111111111 -0.2987 12 C -3.8148 1.5091 0.0069 C.3 1 UNL111111111 -0.2958 13 C -4.1428 -0.6483 1.2579 C.3 1 UNL111111111 -0.2987 14 C 0.8604 0.4391 -0.0029 C.2 1 UNL111111111 0.2084 15 C 2.2298 0.2478 0.0009 C.2 1 UNL111111111 -0.3556 16 C 2.8810 -1.0291 0.0010 C.2 1 UNL111111111 -0.1660 17 C 3.0477 1.4582 0.0012 C.2 1 UNL111111111 0.4914 18 C 4.2373 -1.0935 -0.0000 C.2 1 UNL111111111 0.1666 19 C 4.5138 1.2986 0.0007 C.2 1 UNL111111111 -0.2438 20 C 5.0804 0.0759 -0.0015 C.2 1 UNL111111111 -0.1510 21 H -3.7160 1.2963 -2.1609 H 1 UNL111111111 0.1302 22 H -4.2731 -2.4204 -0.0053 H 1 UNL111111111 0.1283 23 H -3.7092 1.2820 2.1730 H 1 UNL111111111 0.1302 24 H -1.5991 -0.0558 -2.1776 H 1 UNL111111111 0.1510 25 H -1.3732 1.4606 -1.3033 H 1 UNL111111111 0.1526 26 H -1.9373 -2.2717 0.8782 H 1 UNL111111111 0.1470 27 H -1.9399 -2.2660 -0.8951 H 1 UNL111111111 0.1470 28 H -1.3693 1.4525 1.3083 H 1 UNL111111111 0.1527 29 H -1.5919 -0.0693 2.1740 H 1 UNL111111111 0.1510 30 H -5.2407 -0.4899 -1.2814 H 1 UNL111111111 0.1391 31 H -3.8965 -1.2075 -2.1703 H 1 UNL111111111 0.1383 32 H -3.3209 2.4972 0.0094 H 1 UNL111111111 0.1426 33 H -4.9003 1.7100 0.0093 H 1 UNL111111111 0.1371 34 H -5.2364 -0.4985 1.2866 H 1 UNL111111111 0.1391 35 H -3.8894 -1.2219 2.1665 H 1 UNL111111111 0.1383 36 H 0.2566 -1.5266 -0.0056 H 1 UNL111111111 0.3141 37 H 0.4674 1.4770 -0.0033 H 1 UNL111111111 0.1884 38 H 2.2906 -1.9399 0.0024 H 1 UNL111111111 0.1518 39 H 5.0871 2.2224 0.0013 H 1 UNL111111111 0.1722 40 H 6.1597 -0.0630 -0.0033 H 1 UNL111111111 0.1515 41 H 5.7772 -2.3026 0.0030 H 1 UNL111111111 0.3190 @BOND 1 1 17 2 2 2 18 1 3 2 41 1 4 3 4 1 5 3 14 1 6 3 36 1 7 4 8 1 8 4 9 1 9 4 10 1 10 5 8 1 11 5 11 1 12 5 12 1 13 5 21 1 14 6 9 1 15 6 11 1 16 6 13 1 17 6 22 1 18 7 10 1 19 7 12 1 20 7 13 1 21 7 23 1 22 8 24 1 23 8 25 1 24 9 26 1 25 9 27 1 26 10 28 1 27 10 29 1 28 11 30 1 29 11 31 1 30 12 32 1 31 12 33 1 32 13 34 1 33 13 35 1 34 14 15 2 35 14 37 1 36 15 16 1 37 15 17 1 38 16 18 2 39 16 38 1 40 17 19 1 41 18 20 1 42 19 20 2 43 19 39 1 44 20 40 1