@MOLECULE 3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1h-isochromene-5,6-diol 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0377 -1.2974 0.0270 O.3 1 UNL1111111111 -0.4304 2 O 3.0283 2.7106 -0.4033 O.3 1 UNL1111111111 -0.4922 3 O 5.5458 1.7612 -0.0819 O.3 1 UNL1111111111 -0.4507 4 N 0.4593 -4.0867 -0.2791 N.3 1 UNL1111111111 -0.6410 5 C -1.7794 0.2403 0.2495 C.3 1 UNL1111111111 0.0523 6 C -3.6014 0.2576 -1.4877 C.3 1 UNL1111111111 -0.0792 7 C -4.0930 -0.5828 0.8298 C.3 1 UNL1111111111 -0.0782 8 C -3.6887 1.8685 0.4435 C.3 1 UNL1111111111 -0.0761 9 C -2.0954 0.0490 -1.2454 C.3 1 UNL1111111111 -0.2911 10 C -2.5878 -0.7886 1.0715 C.3 1 UNL1111111111 -0.2956 11 C -2.1805 1.6635 0.6866 C.3 1 UNL1111111111 -0.2994 12 C -4.4014 -0.7702 -0.6669 C.3 1 UNL1111111111 -0.2909 13 C -3.9966 1.6818 -1.0539 C.3 1 UNL1111111111 -0.2935 14 C -4.4892 0.8407 1.2638 C.3 1 UNL1111111111 -0.2939 15 C -0.2770 0.0014 0.5396 C.3 1 UNL1111111111 0.0981 16 C 0.6787 0.9798 -0.1686 C.3 1 UNL1111111111 -0.3311 17 C 2.0816 0.4940 -0.0200 C.ar 1 UNL1111111111 -0.0439 18 C 1.2305 -1.8419 0.3631 C.3 1 UNL1111111111 0.1095 19 C 2.3545 -0.8520 0.2512 C.ar 1 UNL1111111111 -0.0958 20 C 1.3749 -2.9887 -0.6663 C.3 1 UNL1111111111 -0.1239 21 C 3.1535 1.3757 -0.1420 C.ar 1 UNL1111111111 0.1007 22 C 3.6669 -1.2834 0.4469 C.ar 1 UNL1111111111 -0.1471 23 C 4.4771 0.9345 0.0312 C.ar 1 UNL1111111111 0.2128 24 C 4.7369 -0.3995 0.3373 C.ar 1 UNL1111111111 -0.2082 25 H -3.8234 0.1233 -2.5694 H 1 UNL1111111111 0.1220 26 H -4.6686 -1.3267 1.4239 H 1 UNL1111111111 0.1223 27 H -3.9752 2.8970 0.7561 H 1 UNL1111111111 0.1198 28 H -1.7918 -0.9629 -1.5681 H 1 UNL1111111111 0.1494 29 H -1.5129 0.7539 -1.8625 H 1 UNL1111111111 0.1322 30 H -2.3576 -0.6907 2.1462 H 1 UNL1111111111 0.1350 31 H -2.2898 -1.8140 0.7851 H 1 UNL1111111111 0.1479 32 H -1.6098 2.4199 0.1218 H 1 UNL1111111111 0.1323 33 H -1.9444 1.8192 1.7535 H 1 UNL1111111111 0.1368 34 H -5.4823 -0.6508 -0.8531 H 1 UNL1111111111 0.1329 35 H -4.1428 -1.7954 -0.9839 H 1 UNL1111111111 0.1345 36 H -3.4491 2.4290 -1.6533 H 1 UNL1111111111 0.1321 37 H -5.0691 1.8552 -1.2470 H 1 UNL1111111111 0.1329 38 H -5.5718 0.9967 1.1191 H 1 UNL1111111111 0.1328 39 H -4.2975 0.9783 2.3418 H 1 UNL1111111111 0.1333 40 H -0.0858 0.0045 1.6352 H 1 UNL1111111111 0.1259 41 H 0.5495 1.9946 0.2570 H 1 UNL1111111111 0.1522 42 H 0.4158 1.0430 -1.2469 H 1 UNL1111111111 0.1692 43 H 1.1528 -2.2405 1.4044 H 1 UNL1111111111 0.1496 44 H 2.4114 -3.3895 -0.6576 H 1 UNL1111111111 0.1485 45 H 1.1782 -2.5909 -1.6851 H 1 UNL1111111111 0.1303 46 H 3.8640 -2.3275 0.6931 H 1 UNL1111111111 0.1613 47 H 5.7635 -0.7289 0.4825 H 1 UNL1111111111 0.1768 48 H 0.3748 -4.7708 -1.0130 H 1 UNL1111111111 0.2439 49 H -0.4605 -3.7278 -0.0671 H 1 UNL1111111111 0.2568 50 H 2.1236 2.9362 -0.7270 H 1 UNL1111111111 0.3369 51 H 5.2542 2.6855 -0.3042 H 1 UNL1111111111 0.3412 @BOND 1 1 15 1 2 1 18 1 3 2 21 1 4 2 50 1 5 3 23 1 6 3 51 1 7 4 20 1 8 4 48 1 9 4 49 1 10 5 9 1 11 5 10 1 12 5 11 1 13 5 15 1 14 6 9 1 15 6 12 1 16 6 13 1 17 6 25 1 18 7 10 1 19 7 12 1 20 7 14 1 21 7 26 1 22 8 11 1 23 8 13 1 24 8 14 1 25 8 27 1 26 9 28 1 27 9 29 1 28 10 30 1 29 10 31 1 30 11 32 1 31 11 33 1 32 12 34 1 33 12 35 1 34 13 36 1 35 13 37 1 36 14 38 1 37 14 39 1 38 15 16 1 39 15 40 1 40 16 17 1 41 16 41 1 42 16 42 1 43 17 19 ar 44 17 21 ar 45 18 19 1 46 18 20 1 47 18 43 1 48 19 22 ar 49 20 44 1 50 20 45 1 51 21 23 ar 52 22 24 ar 53 22 46 1 54 23 24 ar 55 24 47 1