@MOLECULE 4-[2-hydroxy-3-(isopropylamino)bicyclo[2.2.1]hept-2-yl]-1,2-benzenediol 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6295 -0.8051 1.8354 O.3 1 UNL1111111111 -0.5463 2 O 3.2724 2.3517 -0.1021 O.3 1 UNL1111111111 -0.4907 3 O 5.0869 0.3095 -0.3061 O.3 1 UNL1111111111 -0.4541 4 N -2.1006 0.9745 0.5068 N.3 1 UNL1111111111 -0.5858 5 C -0.8175 -2.2988 -0.1128 C.3 1 UNL1111111111 -0.1421 6 C -2.2032 -0.8705 -1.2201 C.3 1 UNL1111111111 -0.1102 7 C -0.3953 -0.8993 0.4553 C.3 1 UNL1111111111 0.2685 8 C -1.3191 0.1000 -0.3799 C.3 1 UNL1111111111 -0.0363 9 C -1.1495 -1.9514 -1.5884 C.3 1 UNL1111111111 -0.3006 10 C -2.2197 -2.6535 0.4391 C.3 1 UNL1111111111 -0.2735 11 C -3.1566 -1.6458 -0.2788 C.3 1 UNL1111111111 -0.2745 12 C 1.0734 -0.5763 0.3030 C.ar 1 UNL1111111111 -0.0360 13 C -2.8999 1.9873 -0.2179 C.3 1 UNL1111111111 0.1058 14 C 1.4666 0.7665 0.2178 C.ar 1 UNL1111111111 -0.2370 15 C 2.0436 -1.5769 0.2675 C.ar 1 UNL1111111111 -0.1332 16 C -2.0457 3.0866 -0.8816 C.3 1 UNL1111111111 -0.5026 17 C -3.8679 2.6191 0.7959 C.3 1 UNL1111111111 -0.4619 18 C 2.8034 1.0760 0.0174 C.ar 1 UNL1111111111 0.1428 19 C 3.3917 -1.2690 0.0688 C.ar 1 UNL1111111111 -0.1959 20 C 3.7734 0.0608 -0.0779 C.ar 1 UNL1111111111 0.2084 21 H -0.0785 -3.0897 0.0389 H 1 UNL1111111111 0.1422 22 H -2.7041 -0.3867 -2.0614 H 1 UNL1111111111 0.1303 23 H -0.6825 0.6849 -1.0861 H 1 UNL1111111111 0.1239 24 H -1.5690 -2.7912 -2.1515 H 1 UNL1111111111 0.1435 25 H -0.2963 -1.5689 -2.1593 H 1 UNL1111111111 0.1433 26 H -2.2726 -2.5765 1.5335 H 1 UNL1111111111 0.1404 27 H -2.4845 -3.6916 0.1922 H 1 UNL1111111111 0.1345 28 H -3.9477 -2.1557 -0.8435 H 1 UNL1111111111 0.1296 29 H -3.6552 -0.9671 0.4320 H 1 UNL1111111111 0.1569 30 H -1.4997 1.4061 1.2094 H 1 UNL1111111111 0.2713 31 H -1.5991 -0.7600 2.0182 H 1 UNL1111111111 0.3367 32 H -3.4925 1.4563 -1.0078 H 1 UNL1111111111 0.1350 33 H 0.7348 1.5631 0.3186 H 1 UNL1111111111 0.1589 34 H 1.7586 -2.6203 0.3995 H 1 UNL1111111111 0.1607 35 H -2.6780 3.8975 -1.2606 H 1 UNL1111111111 0.1536 36 H -1.3416 3.5321 -0.1740 H 1 UNL1111111111 0.1460 37 H -1.4763 2.6947 -1.7285 H 1 UNL1111111111 0.1466 38 H -4.4663 1.8443 1.2935 H 1 UNL1111111111 0.1583 39 H -4.5572 3.3130 0.3063 H 1 UNL1111111111 0.1443 40 H -3.3361 3.1684 1.5789 H 1 UNL1111111111 0.1475 41 H 4.1464 -2.0518 0.0279 H 1 UNL1111111111 0.1742 42 H 2.5413 3.0126 -0.0553 H 1 UNL1111111111 0.3363 43 H 5.2550 1.2854 -0.3903 H 1 UNL1111111111 0.3409 @BOND 1 1 7 1 2 1 31 1 3 2 18 1 4 2 42 1 5 3 20 1 6 3 43 1 7 4 8 1 8 4 13 1 9 4 30 1 10 5 7 1 11 5 9 1 12 5 10 1 13 5 21 1 14 6 8 1 15 6 9 1 16 6 11 1 17 6 22 1 18 7 8 1 19 7 12 1 20 8 23 1 21 9 24 1 22 9 25 1 23 10 11 1 24 10 26 1 25 10 27 1 26 11 28 1 27 11 29 1 28 12 14 ar 29 12 15 ar 30 13 16 1 31 13 17 1 32 13 32 1 33 14 18 ar 34 14 33 1 35 15 19 ar 36 15 34 1 37 16 35 1 38 16 36 1 39 16 37 1 40 17 38 1 41 17 39 1 42 17 40 1 43 18 20 ar 44 19 20 ar 45 19 41 1