@MOLECULE (2s)-1-[(3r)-3h-indol-3-yl]-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.9879 -0.1801 -0.4045 C.ar 1 UNL1111111111 0.0177 2 C 4.7821 -0.9612 0.4003 C.ar 1 UNL1111111111 -0.1758 3 C 6.1015 -0.5403 0.7168 C.ar 1 UNL1111111111 0.0539 4 C 6.5823 0.6777 0.1888 C.ar 1 UNL1111111111 -0.1092 5 C 5.7453 1.4672 -0.6405 C.ar 1 UNL1111111111 -0.1133 6 C 4.4722 1.0501 -0.9282 C.ar 1 UNL1111111111 -0.1582 7 C 6.9619 -1.3035 1.5519 C.ar 1 UNL1111111111 -0.2418 8 C 8.2291 -0.8337 1.8129 C.ar 1 UNL1111111111 0.0375 9 N 8.7051 0.3471 1.3003 N.ar 1 UNL1111111111 -0.3677 10 C 7.9176 1.0691 0.5245 C.ar 1 UNL1111111111 0.0621 11 C -8.4300 -1.3010 0.5547 C.ar 1 UNL1111111111 -0.1435 12 C -7.9182 -0.5016 1.5844 C.ar 1 UNL1111111111 -0.1389 13 C -6.6266 -0.0279 1.4405 C.ar 1 UNL1111111111 0.0913 14 C -5.8451 -0.3353 0.2909 C.ar 1 UNL1111111111 -0.0804 15 C -6.3574 -1.1260 -0.7133 C.ar 1 UNL1111111111 -0.1497 16 C -7.6667 -1.6078 -0.5691 C.ar 1 UNL1111111111 -0.1495 17 N -5.8875 0.7945 2.3493 N.2 1 UNL1111111111 -0.3398 18 C -4.7135 1.0103 1.8342 C.2 1 UNL1111111111 0.0534 19 C -4.5050 0.3367 0.4653 C.3 1 UNL1111111111 -0.1729 20 C 0.1198 -1.4605 -1.4985 C.ar 1 UNL1111111111 -0.0780 21 N 1.1859 -2.2181 -1.8086 N.ar 1 UNL1111111111 -0.3164 22 C 2.4087 -1.8053 -1.4426 C.ar 1 UNL1111111111 -0.0099 23 C 2.6267 -0.5995 -0.7473 C.ar 1 UNL1111111111 -0.0549 24 C 1.5311 0.1902 -0.4122 C.ar 1 UNL1111111111 -0.1777 25 C 0.2598 -0.2523 -0.7950 C.ar 1 UNL1111111111 0.1593 26 O -0.7732 0.5227 -0.3761 O.3 1 UNL1111111111 -0.3254 27 C -1.8914 0.5927 -1.2709 C.3 1 UNL1111111111 -0.0663 28 C -2.7274 1.7519 -0.6817 C.3 1 UNL1111111111 0.0579 29 C -4.2221 1.3572 -0.6322 C.3 1 UNL1111111111 -0.3332 30 N -2.4902 2.9542 -1.4954 N.3 1 UNL1111111111 -0.6543 31 H 4.4141 -1.9019 0.8088 H 1 UNL1111111111 0.1689 32 H 6.1314 2.4045 -1.0404 H 1 UNL1111111111 0.1577 33 H 3.8157 1.6451 -1.5626 H 1 UNL1111111111 0.1663 34 H 6.6084 -2.2410 1.9721 H 1 UNL1111111111 0.1706 35 H 8.9424 -1.3707 2.4476 H 1 UNL1111111111 0.1730 36 H 8.3328 2.0069 0.1342 H 1 UNL1111111111 0.1725 37 H -9.4448 -1.6896 0.6393 H 1 UNL1111111111 0.1577 38 H -8.5090 -0.2607 2.4657 H 1 UNL1111111111 0.1743 39 H -5.7723 -1.3762 -1.5940 H 1 UNL1111111111 0.1562 40 H -8.0907 -2.2344 -1.3527 H 1 UNL1111111111 0.1551 41 H -3.9423 1.6001 2.3076 H 1 UNL1111111111 0.1755 42 H -3.6894 -0.4226 0.5372 H 1 UNL1111111111 0.1837 43 H -0.8518 -1.8450 -1.8169 H 1 UNL1111111111 0.1779 44 H 3.2416 -2.4597 -1.7232 H 1 UNL1111111111 0.1821 45 H 1.6442 1.1283 0.1305 H 1 UNL1111111111 0.1857 46 H -2.4219 -0.3730 -1.2507 H 1 UNL1111111111 0.1275 47 H -1.5381 0.8118 -2.2938 H 1 UNL1111111111 0.1476 48 H -2.3538 1.9628 0.3596 H 1 UNL1111111111 0.1659 49 H -4.8472 2.2592 -0.4764 H 1 UNL1111111111 0.1574 50 H -4.5428 0.9552 -1.6136 H 1 UNL1111111111 0.1567 51 H -2.9496 2.9251 -2.3887 H 1 UNL1111111111 0.2530 52 H -2.7336 3.8038 -1.0172 H 1 UNL1111111111 0.2584 @BOND 1 1 2 ar 2 1 6 ar 3 1 23 1 4 2 3 ar 5 2 31 1 6 3 4 ar 7 3 7 ar 8 4 5 ar 9 4 10 ar 10 5 6 ar 11 5 32 1 12 6 33 1 13 7 8 ar 14 7 34 1 15 8 9 ar 16 8 35 1 17 9 10 ar 18 10 36 1 19 11 12 ar 20 11 16 ar 21 11 37 1 22 12 13 ar 23 12 38 1 24 13 14 ar 25 13 17 1 26 14 15 ar 27 14 19 1 28 15 16 ar 29 15 39 1 30 16 40 1 31 17 18 2 32 18 19 1 33 18 41 1 34 19 29 1 35 19 42 1 36 20 21 ar 37 20 25 ar 38 20 43 1 39 21 22 ar 40 22 23 ar 41 22 44 1 42 23 24 ar 43 24 25 ar 44 24 45 1 45 25 26 1 46 26 27 1 47 27 28 1 48 27 46 1 49 27 47 1 50 28 29 1 51 28 30 1 52 28 48 1 53 29 49 1 54 29 50 1 55 30 51 1 56 30 52 1