@MOLECULE n-[8-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]-1-adamantanecarboxamide 83 87 0 0 0 SMALL GASTEIGER @ATOM 1 C 10.8722 -2.0580 -0.3953 C.3 1 UNL111111111 -0.2922 2 C 11.0759 -0.7602 0.4087 C.3 1 UNL111111111 -0.0789 3 C 11.3632 0.4046 -0.5570 C.3 1 UNL111111111 -0.2922 4 C 9.8024 -0.4536 1.2131 C.3 1 UNL111111111 -0.2788 5 C 9.6829 -1.8851 -1.3574 C.3 1 UNL111111111 -0.0751 6 C 9.9687 -0.7185 -2.3217 C.3 1 UNL111111111 -0.2943 7 C 8.4067 -1.5820 -0.5489 C.3 1 UNL111111111 -0.2918 8 C 10.1738 0.5795 -1.5186 C.3 1 UNL111111111 -0.0750 9 C 8.6111 -0.2801 0.2498 C.3 1 UNL111111111 -0.0106 10 C 8.8992 0.8901 -0.7102 C.3 1 UNL111111111 -0.2918 11 C -7.2826 -2.3918 1.7695 C.ar 1 UNL111111111 -0.2463 12 C -7.1048 -1.0987 2.3094 C.ar 1 UNL111111111 -0.1076 13 C -6.9433 -0.0113 1.4905 C.ar 1 UNL111111111 -0.1762 14 C -7.3142 -2.5610 0.4043 C.ar 1 UNL111111111 0.1514 15 C -7.1559 -1.4426 -0.4749 C.ar 1 UNL111111111 -0.0688 16 C -6.9424 -0.1531 0.0736 C.ar 1 UNL111111111 0.0779 17 C -6.7360 0.9342 -0.8229 C.ar 1 UNL111111111 -0.4026 18 C -6.8030 0.7431 -2.1830 C.ar 1 UNL111111111 -0.0361 19 C -7.0541 -0.5388 -2.7225 C.ar 1 UNL111111111 -0.2186 20 C -7.2150 -1.6114 -1.8847 C.ar 1 UNL111111111 -0.0578 21 N -7.5042 -3.8443 -0.2328 N.pl3 1 UNL111111111 -0.4137 22 C -6.3671 -4.7488 0.0448 C.3 1 UNL111111111 -0.2681 23 C -8.7952 -4.4528 0.1544 C.3 1 UNL111111111 -0.2677 24 C 7.3682 0.0186 1.0870 C.2 1 UNL111111111 0.5490 25 N 6.1842 0.2279 0.4109 N.am 1 UNL111111111 -0.6181 26 C 4.9684 0.5190 1.1863 C.3 1 UNL111111111 -0.0498 27 C 3.7685 0.6840 0.2433 C.3 1 UNL111111111 -0.3044 28 C 2.5019 0.9873 1.0516 C.3 1 UNL111111111 -0.2682 29 C 1.3011 1.1624 0.1133 C.3 1 UNL111111111 -0.2687 30 C 0.0289 1.4773 0.9097 C.3 1 UNL111111111 -0.2748 31 C -1.1619 1.6818 -0.0355 C.3 1 UNL111111111 -0.2793 32 C -2.4349 1.9817 0.7615 C.3 1 UNL111111111 -0.2893 33 C -3.6074 2.2811 -0.1923 C.3 1 UNL111111111 -0.0618 34 N -4.8517 2.3571 0.5959 N.3 1 UNL111111111 -0.8599 35 O -6.0892 3.3596 -1.4408 O.2 1 UNL111111111 -0.9302 36 S -6.3525 2.5574 -0.2653 S.O2 1 UNL111111111 2.3403 37 O -7.2821 3.0056 0.7464 O.2 1 UNL111111111 -0.8991 38 O 7.3835 0.0749 2.3013 O.2 1 UNL111111111 -0.5439 39 H 11.7871 -2.3056 -0.9601 H 1 UNL111111111 0.1324 40 H 10.6914 -2.9057 0.2885 H 1 UNL111111111 0.1369 41 H 11.9336 -0.8854 1.1063 H 1 UNL111111111 0.1252 42 H 11.5366 1.3358 0.0103 H 1 UNL111111111 0.1371 43 H 12.2887 0.2117 -1.1256 H 1 UNL111111111 0.1325 44 H 9.9334 0.4582 1.8254 H 1 UNL111111111 0.1530 45 H 9.5919 -1.2619 1.9382 H 1 UNL111111111 0.1534 46 H 9.5352 -2.8214 -1.9397 H 1 UNL111111111 0.1225 47 H 9.1384 -0.6000 -3.0381 H 1 UNL111111111 0.1313 48 H 10.8673 -0.9365 -2.9247 H 1 UNL111111111 0.1344 49 H 8.1836 -2.4185 0.1390 H 1 UNL111111111 0.1471 50 H 7.5422 -1.5011 -1.2286 H 1 UNL111111111 0.1308 51 H 10.3804 1.4206 -2.2169 H 1 UNL111111111 0.1227 52 H 8.0529 1.0619 -1.3959 H 1 UNL111111111 0.1304 53 H 9.0297 1.8274 -0.1385 H 1 UNL111111111 0.1472 54 H -7.3967 -3.2372 2.4428 H 1 UNL111111111 0.1578 55 H -7.1010 -0.9801 3.3933 H 1 UNL111111111 0.1551 56 H -6.8274 0.9786 1.9424 H 1 UNL111111111 0.1890 57 H -6.6591 1.5734 -2.8903 H 1 UNL111111111 0.1798 58 H -7.1099 -0.6588 -3.8018 H 1 UNL111111111 0.1569 59 H -7.3949 -2.6163 -2.2808 H 1 UNL111111111 0.1755 60 H -6.4792 -5.6528 -0.5773 H 1 UNL111111111 0.1520 61 H -5.4294 -4.2521 -0.2574 H 1 UNL111111111 0.1489 62 H -6.2735 -5.0535 1.0977 H 1 UNL111111111 0.1256 63 H -9.6086 -3.7393 -0.0640 H 1 UNL111111111 0.1521 64 H -8.9610 -5.3467 -0.4706 H 1 UNL111111111 0.1513 65 H -8.8642 -4.7445 1.2127 H 1 UNL111111111 0.1250 66 H 6.1151 0.1958 -0.5871 H 1 UNL111111111 0.3076 67 H 5.1332 1.4408 1.7920 H 1 UNL111111111 0.1483 68 H 4.7954 -0.3046 1.9182 H 1 UNL111111111 0.1497 69 H 3.6230 -0.2331 -0.3587 H 1 UNL111111111 0.1434 70 H 3.9593 1.5012 -0.4783 H 1 UNL111111111 0.1434 71 H 2.6457 1.9016 1.6587 H 1 UNL111111111 0.1423 72 H 2.3031 0.1724 1.7733 H 1 UNL111111111 0.1418 73 H 1.1527 0.2460 -0.4880 H 1 UNL111111111 0.1362 74 H 1.5023 1.9726 -0.6126 H 1 UNL111111111 0.1371 75 H 0.1824 2.3825 1.5270 H 1 UNL111111111 0.1392 76 H -0.1871 0.6577 1.6205 H 1 UNL111111111 0.1389 77 H -1.3082 0.7791 -0.6587 H 1 UNL111111111 0.1389 78 H -0.9465 2.5067 -0.7405 H 1 UNL111111111 0.1382 79 H -2.2687 2.8352 1.4434 H 1 UNL111111111 0.1364 80 H -2.6927 1.1197 1.4089 H 1 UNL111111111 0.1549 81 H -3.7033 1.4584 -0.9377 H 1 UNL111111111 0.1391 82 H -3.4098 3.2171 -0.7636 H 1 UNL111111111 0.1323 83 H -4.7554 2.9309 1.4300 H 1 UNL111111111 0.2997 @BOND 1 1 2 1 2 1 5 1 3 1 39 1 4 1 40 1 5 2 3 1 6 2 4 1 7 2 41 1 8 3 8 1 9 3 42 1 10 3 43 1 11 4 9 1 12 4 44 1 13 4 45 1 14 5 6 1 15 5 7 1 16 5 46 1 17 6 8 1 18 6 47 1 19 6 48 1 20 7 9 1 21 7 49 1 22 7 50 1 23 8 10 1 24 8 51 1 25 9 10 1 26 9 24 1 27 10 52 1 28 10 53 1 29 11 12 ar 30 11 14 ar 31 11 54 1 32 12 13 ar 33 12 55 1 34 13 16 ar 35 13 56 1 36 14 15 ar 37 14 21 1 38 15 16 ar 39 15 20 ar 40 16 17 ar 41 17 18 ar 42 17 36 1 43 18 19 ar 44 18 57 1 45 19 20 ar 46 19 58 1 47 20 59 1 48 21 22 1 49 21 23 1 50 22 60 1 51 22 61 1 52 22 62 1 53 23 63 1 54 23 64 1 55 23 65 1 56 24 25 am 57 24 38 2 58 25 26 1 59 25 66 1 60 26 27 1 61 26 67 1 62 26 68 1 63 27 28 1 64 27 69 1 65 27 70 1 66 28 29 1 67 28 71 1 68 28 72 1 69 29 30 1 70 29 73 1 71 29 74 1 72 30 31 1 73 30 75 1 74 30 76 1 75 31 32 1 76 31 77 1 77 31 78 1 78 32 33 1 79 32 79 1 80 32 80 1 81 33 34 1 82 33 81 1 83 33 82 1 84 34 36 1 85 34 83 1 86 35 36 2 87 36 37 2