@MOLECULE 2-methyl-4-[4-(methylsulfanyl)phenyl]-7-[3-(4-morpholinyl)propoxy]-1,2,3,4-tetrahydroisoquinoline 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 S 6.4286 3.5725 0.0361 S.3 1 UNL1111111111 0.0388 2 O -2.2928 -1.1704 -0.3852 O.3 1 UNL1111111111 -0.3404 3 O -9.3420 1.1207 0.4949 O.3 1 UNL1111111111 -0.3883 4 N 3.0710 -3.8163 0.4582 N.3 1 UNL1111111111 -0.3919 5 N -6.5492 0.8788 0.1131 N.3 1 UNL1111111111 -0.4150 6 C 3.3183 -1.5986 -0.5326 C.3 1 UNL1111111111 -0.1218 7 C 3.7911 -2.5341 0.6105 C.3 1 UNL1111111111 -0.1197 8 C 1.8246 -1.4480 -0.5098 C.ar 1 UNL1111111111 -0.0876 9 C 1.0323 -2.4319 0.0950 C.ar 1 UNL1111111111 0.0580 10 C 1.6269 -3.6471 0.7548 C.3 1 UNL1111111111 -0.1340 11 C 4.0498 -0.2943 -0.3820 C.ar 1 UNL1111111111 -0.0199 12 C 1.2172 -0.3553 -1.1283 C.ar 1 UNL1111111111 -0.0833 13 C -0.3530 -2.2982 0.1154 C.ar 1 UNL1111111111 -0.2957 14 C 3.6551 -4.8544 1.3340 C.3 1 UNL1111111111 -0.2813 15 C -5.2705 1.0187 -0.6271 C.3 1 UNL1111111111 -0.1144 16 C -0.9382 -1.1762 -0.4867 C.ar 1 UNL1111111111 0.2671 17 C -7.4986 -0.0028 -0.6093 C.3 1 UNL1111111111 -0.1604 18 C -7.1741 2.2034 0.3517 C.3 1 UNL1111111111 -0.1621 19 C -4.4057 -0.2187 -0.3290 C.3 1 UNL1111111111 -0.3032 20 C -0.1667 -0.2026 -1.1216 C.ar 1 UNL1111111111 -0.3084 21 C 3.6685 0.6270 0.5949 C.ar 1 UNL1111111111 -0.1463 22 C 5.1455 -0.0131 -1.2010 C.ar 1 UNL1111111111 -0.1519 23 C -2.9768 0.0082 -0.8219 C.3 1 UNL1111111111 -0.0447 24 C -8.7652 -0.1497 0.2541 C.3 1 UNL1111111111 -0.0442 25 C -8.4543 1.9840 1.1803 C.3 1 UNL1111111111 -0.0434 26 C 4.3701 1.8198 0.7523 C.ar 1 UNL1111111111 -0.1686 27 C 5.8510 1.1769 -1.0471 C.ar 1 UNL1111111111 -0.1514 28 C 5.4611 2.0950 -0.0692 C.ar 1 UNL1111111111 -0.0773 29 C 5.6541 4.5730 1.3429 C.3 1 UNL1111111111 -0.4988 30 H 3.5855 -2.0907 -1.5093 H 1 UNL1111111111 0.1741 31 H 4.8823 -2.7165 0.5113 H 1 UNL1111111111 0.1428 32 H 3.6275 -2.0500 1.5957 H 1 UNL1111111111 0.1241 33 H 1.4156 -3.6013 1.8494 H 1 UNL1111111111 0.1320 34 H 1.1184 -4.5635 0.3639 H 1 UNL1111111111 0.1596 35 H 1.8361 0.3965 -1.6218 H 1 UNL1111111111 0.1588 36 H -0.9886 -3.0437 0.5844 H 1 UNL1111111111 0.1721 37 H 3.6260 -4.6194 2.4080 H 1 UNL1111111111 0.1193 38 H 3.1238 -5.8060 1.1673 H 1 UNL1111111111 0.1453 39 H 4.7056 -5.0178 1.0396 H 1 UNL1111111111 0.1475 40 H -4.7449 1.9311 -0.2667 H 1 UNL1111111111 0.1371 41 H -5.4118 1.1420 -1.7212 H 1 UNL1111111111 0.1173 42 H -7.0229 -0.9961 -0.7520 H 1 UNL1111111111 0.1454 43 H -7.7687 0.3856 -1.6138 H 1 UNL1111111111 0.1252 44 H -6.4614 2.8326 0.9261 H 1 UNL1111111111 0.1421 45 H -7.4190 2.7421 -0.5874 H 1 UNL1111111111 0.1247 46 H -4.8332 -1.1273 -0.7910 H 1 UNL1111111111 0.1542 47 H -4.4068 -0.4237 0.7633 H 1 UNL1111111111 0.1763 48 H -0.6166 0.6540 -1.6084 H 1 UNL1111111111 0.1615 49 H 2.8114 0.4130 1.2345 H 1 UNL1111111111 0.1631 50 H 5.4533 -0.7270 -1.9640 H 1 UNL1111111111 0.1571 51 H -2.5173 0.9008 -0.3630 H 1 UNL1111111111 0.1289 52 H -2.9118 0.0660 -1.9216 H 1 UNL1111111111 0.1274 53 H -9.5683 -0.6904 -0.2751 H 1 UNL1111111111 0.1367 54 H -8.5442 -0.6455 1.2160 H 1 UNL1111111111 0.1316 55 H -8.2236 1.5646 2.1758 H 1 UNL1111111111 0.1314 56 H -9.0430 2.9115 1.2867 H 1 UNL1111111111 0.1362 57 H 4.0470 2.5173 1.5230 H 1 UNL1111111111 0.1530 58 H 6.7038 1.3741 -1.6980 H 1 UNL1111111111 0.1593 59 H 4.6173 4.8346 1.1067 H 1 UNL1111111111 0.1653 60 H 5.6803 4.0745 2.3176 H 1 UNL1111111111 0.1653 61 H 6.2266 5.5067 1.4274 H 1 UNL1111111111 0.1751 @BOND 1 1 28 1 2 1 29 1 3 2 16 1 4 2 23 1 5 3 24 1 6 3 25 1 7 4 7 1 8 4 10 1 9 4 14 1 10 5 15 1 11 5 17 1 12 5 18 1 13 6 7 1 14 6 8 1 15 6 11 1 16 6 30 1 17 7 31 1 18 7 32 1 19 8 9 ar 20 8 12 ar 21 9 10 1 22 9 13 ar 23 10 33 1 24 10 34 1 25 11 21 ar 26 11 22 ar 27 12 20 ar 28 12 35 1 29 13 16 ar 30 13 36 1 31 14 37 1 32 14 38 1 33 14 39 1 34 15 19 1 35 15 40 1 36 15 41 1 37 16 20 ar 38 17 24 1 39 17 42 1 40 17 43 1 41 18 25 1 42 18 44 1 43 18 45 1 44 19 23 1 45 19 46 1 46 19 47 1 47 20 48 1 48 21 26 ar 49 21 49 1 50 22 27 ar 51 22 50 1 52 23 51 1 53 23 52 1 54 24 53 1 55 24 54 1 56 25 55 1 57 25 56 1 58 26 28 ar 59 26 57 1 60 27 28 ar 61 27 58 1 62 29 59 1 63 29 60 1 64 29 61 1