@MOLECULE n-allyl-6-{[1-(4-bromophenyl)-6-isoquinolinyl]oxy}-n-methyl-1-hexanamine 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 C -12.7425 2.5391 -1.0511 C.2 1 UNL1111 -0.3582 2 C -11.4436 2.3796 -0.8040 C.2 1 UNL1111 -0.1029 3 C -10.8208 1.0329 -0.5626 C.3 1 UNL1111 -0.1347 4 N -9.5859 1.2077 0.2448 N.3 1 UNL1111 -0.4140 5 C -8.7142 0.0085 0.1766 C.3 1 UNL1111 -0.1172 6 C -7.2566 0.4708 0.3747 C.3 1 UNL1111 -0.2779 7 C -6.2905 -0.7003 0.1753 C.3 1 UNL1111 -0.2739 8 C -4.8384 -0.2191 0.2945 C.3 1 UNL1111 -0.2642 9 C -3.8677 -1.3824 0.0754 C.3 1 UNL1111 -0.2950 10 C -2.4271 -0.8686 0.0940 C.3 1 UNL1111 -0.0445 11 O -1.6557 -2.0706 -0.0192 O.3 1 UNL1111 -0.3335 12 C 3.8680 -4.3675 -0.1624 C.ar 1 UNL1111 0.0641 13 C -0.3079 -1.9582 -0.0283 C.ar 1 UNL1111 0.2911 14 C 2.4945 -4.4143 -0.1560 C.ar 1 UNL1111 -0.2661 15 C 0.3986 -0.7281 0.0156 C.ar 1 UNL1111 -0.2903 16 C 1.7697 -0.7489 -0.0073 C.ar 1 UNL1111 -0.0438 17 N 4.5749 -3.1915 -0.1305 N.ar 1 UNL1111 -0.3930 18 C 3.9095 -2.0476 -0.0943 C.ar 1 UNL1111 0.2094 19 C 2.4775 -1.9750 -0.0727 C.ar 1 UNL1111 -0.1789 20 C 1.7590 -3.1957 -0.1075 C.ar 1 UNL1111 0.1216 21 C 0.3486 -3.1754 -0.0885 C.ar 1 UNL1111 -0.3145 22 C 4.7090 -0.8045 -0.0706 C.ar 1 UNL1111 -0.0242 23 C 5.3769 -0.4345 1.0977 C.ar 1 UNL1111 -0.1132 24 C 6.1084 0.7517 1.1314 C.ar 1 UNL1111 -0.1536 25 C 6.1599 1.5363 -0.0142 C.ar 1 UNL1111 -0.0126 26 C 5.5161 1.1750 -1.1919 C.ar 1 UNL1111 -0.1532 27 C 4.7831 -0.0099 -1.2167 C.ar 1 UNL1111 -0.1299 28 BR 7.1506 3.1578 0.0282 Br 1 UNL1111 -0.0660 29 C -9.9239 1.5403 1.6449 C.3 1 UNL1111 -0.2772 30 H -13.1931 3.4984 -1.2515 H 1 UNL1111 0.1484 31 H -13.4577 1.7332 -1.0746 H 1 UNL1111 0.1445 32 H -10.7396 3.2139 -0.7838 H 1 UNL1111 0.1603 33 H -10.5410 0.5985 -1.5534 H 1 UNL1111 0.1505 34 H -11.5428 0.3257 -0.0996 H 1 UNL1111 0.1251 35 H -8.9813 -0.7660 0.9245 H 1 UNL1111 0.1165 36 H -8.8113 -0.4680 -0.8227 H 1 UNL1111 0.1332 37 H -7.0367 1.2891 -0.3396 H 1 UNL1111 0.1557 38 H -7.1276 0.9146 1.3781 H 1 UNL1111 0.1396 39 H -6.4915 -1.4931 0.9200 H 1 UNL1111 0.1379 40 H -6.4537 -1.1641 -0.8161 H 1 UNL1111 0.1394 41 H -4.6494 0.5832 -0.4446 H 1 UNL1111 0.1401 42 H -4.6733 0.2358 1.2899 H 1 UNL1111 0.1392 43 H -4.0027 -2.1586 0.8547 H 1 UNL1111 0.1570 44 H -4.0740 -1.8931 -0.8857 H 1 UNL1111 0.1552 45 H -2.2083 -0.2114 -0.7648 H 1 UNL1111 0.1290 46 H -2.1746 -0.3629 1.0415 H 1 UNL1111 0.1298 47 H 4.4946 -5.2661 -0.1945 H 1 UNL1111 0.1717 48 H 1.9584 -5.3582 -0.1844 H 1 UNL1111 0.1713 49 H -0.1366 0.2148 0.0667 H 1 UNL1111 0.1686 50 H 2.3361 0.1856 0.0281 H 1 UNL1111 0.1630 51 H -0.2153 -4.1038 -0.1186 H 1 UNL1111 0.1815 52 H 5.3322 -1.0781 1.9774 H 1 UNL1111 0.1697 53 H 6.6277 1.0411 2.0448 H 1 UNL1111 0.1698 54 H 5.5760 1.7935 -2.0872 H 1 UNL1111 0.1695 55 H 4.2753 -0.3207 -2.1301 H 1 UNL1111 0.1670 56 H -8.9948 1.7505 2.1996 H 1 UNL1111 0.1448 57 H -10.5293 2.4627 1.6603 H 1 UNL1111 0.1496 58 H -10.4796 0.7543 2.1778 H 1 UNL1111 0.1186 @BOND 1 1 2 2 2 1 30 1 3 1 31 1 4 2 3 1 5 2 32 1 6 3 4 1 7 3 33 1 8 3 34 1 9 4 5 1 10 4 29 1 11 5 6 1 12 5 35 1 13 5 36 1 14 6 7 1 15 6 37 1 16 6 38 1 17 7 8 1 18 7 39 1 19 7 40 1 20 8 9 1 21 8 41 1 22 8 42 1 23 9 10 1 24 9 43 1 25 9 44 1 26 10 11 1 27 10 45 1 28 10 46 1 29 11 13 1 30 12 14 ar 31 12 17 ar 32 12 47 1 33 13 15 ar 34 13 21 ar 35 14 20 ar 36 14 48 1 37 15 16 ar 38 15 49 1 39 16 19 ar 40 16 50 1 41 17 18 ar 42 18 19 ar 43 18 22 1 44 19 20 ar 45 20 21 ar 46 21 51 1 47 22 23 ar 48 22 27 ar 49 23 24 ar 50 23 52 1 51 24 25 ar 52 24 53 1 53 25 26 ar 54 25 28 1 55 26 27 ar 56 26 54 1 57 27 55 1 58 29 56 1 59 29 57 1 60 29 58 1