@MOLECULE 1-(1-pyrrolidinyl)-3-(9h-thioxanthen-9-yl)-2-propanol 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.2447 1.2078 0.5019 C.ar 1 UNL1111111111 -0.0145 2 C -0.8563 -0.2278 0.7320 C.3 1 UNL1111111111 -0.1140 3 C -2.1037 1.5848 -0.5306 C.ar 1 UNL1111111111 -0.1091 4 C -0.7098 2.1971 1.3329 C.ar 1 UNL1111111111 -0.1452 5 C -2.0034 -1.1831 0.5345 C.ar 1 UNL1111111111 -0.0114 6 C 0.2922 -0.6329 -0.2229 C.3 1 UNL1111111111 -0.3433 7 S -2.8532 0.3727 -1.5767 S.3 1 UNL1111111111 0.0704 8 C -2.4032 2.9267 -0.7611 C.ar 1 UNL1111111111 -0.1401 9 C -1.0053 3.5385 1.1095 C.ar 1 UNL1111111111 -0.1497 10 C -2.9320 -1.0220 -0.4935 C.ar 1 UNL1111111111 -0.1055 11 C -2.1150 -2.2875 1.3840 C.ar 1 UNL1111111111 -0.1615 12 C 1.6639 -0.2976 0.3764 C.3 1 UNL1111111111 0.1597 13 C -1.8441 3.9045 0.0571 C.ar 1 UNL1111111111 -0.1504 14 C -3.9490 -1.9546 -0.6924 C.ar 1 UNL1111111111 -0.1326 15 C -3.1284 -3.2219 1.1916 C.ar 1 UNL1111111111 -0.1394 16 C 2.7926 -0.6177 -0.6337 C.3 1 UNL1111111111 -0.1795 17 O 1.7356 1.0618 0.7409 O.3 1 UNL1111111111 -0.5768 18 C -4.0409 -3.0600 0.1494 C.ar 1 UNL1111111111 -0.1536 19 N 3.9719 -1.1044 0.1196 N.3 1 UNL1111111111 -0.4068 20 C 5.0095 -1.6683 -0.7838 C.3 1 UNL1111111111 -0.1155 21 C 4.6605 -0.0122 0.8561 C.3 1 UNL1111111111 -0.1197 22 C 6.0218 -0.5454 -1.1168 C.3 1 UNL1111111111 -0.3000 23 C 5.7975 0.5333 -0.0417 C.3 1 UNL1111111111 -0.2998 24 H -0.4819 -0.3286 1.7892 H 1 UNL1111111111 0.1695 25 H -0.0421 1.9158 2.1511 H 1 UNL1111111111 0.1749 26 H 0.2404 -1.7220 -0.4263 H 1 UNL1111111111 0.1649 27 H 0.1660 -0.1426 -1.2057 H 1 UNL1111111111 0.1600 28 H -3.0749 3.2234 -1.5679 H 1 UNL1111111111 0.1632 29 H -0.5806 4.3030 1.7578 H 1 UNL1111111111 0.1540 30 H -1.4032 -2.4218 2.1976 H 1 UNL1111111111 0.1589 31 H 1.8360 -0.8142 1.3510 H 1 UNL1111111111 0.1633 32 H -2.0697 4.9543 -0.1197 H 1 UNL1111111111 0.1529 33 H -4.6789 -1.8292 -1.4936 H 1 UNL1111111111 0.1629 34 H -3.2090 -4.0808 1.8552 H 1 UNL1111111111 0.1512 35 H 2.4667 -1.4235 -1.3256 H 1 UNL1111111111 0.1431 36 H 3.0079 0.2754 -1.2557 H 1 UNL1111111111 0.1287 37 H 1.4235 1.6477 0.0239 H 1 UNL1111111111 0.3217 38 H -4.8299 -3.7939 -0.0026 H 1 UNL1111111111 0.1525 39 H 5.5061 -2.4885 -0.2214 H 1 UNL1111111111 0.1425 40 H 4.5720 -2.1210 -1.6894 H 1 UNL1111111111 0.1279 41 H 3.9560 0.7837 1.1675 H 1 UNL1111111111 0.1603 42 H 5.0722 -0.4621 1.7836 H 1 UNL1111111111 0.1381 43 H 7.0541 -0.9241 -1.1038 H 1 UNL1111111111 0.1379 44 H 5.8501 -0.1429 -2.1266 H 1 UNL1111111111 0.1351 45 H 5.5136 1.4956 -0.4952 H 1 UNL1111111111 0.1372 46 H 6.7091 0.7221 0.5439 H 1 UNL1111111111 0.1378 @BOND 1 1 3 ar 2 1 4 ar 3 2 5 1 4 2 1 1 5 2 24 1 6 3 8 ar 7 4 9 ar 8 4 25 1 9 5 10 ar 10 6 2 1 11 6 26 1 12 6 27 1 13 7 3 1 14 8 13 ar 15 8 28 1 16 9 13 ar 17 9 29 1 18 10 14 ar 19 10 7 1 20 11 15 ar 21 11 5 ar 22 11 30 1 23 12 6 1 24 12 31 1 25 13 32 1 26 14 33 1 27 15 18 ar 28 15 34 1 29 16 12 1 30 16 35 1 31 16 36 1 32 17 12 1 33 17 37 1 34 18 14 ar 35 18 38 1 36 19 16 1 37 20 19 1 38 20 39 1 39 20 40 1 40 21 19 1 41 21 41 1 42 21 42 1 43 22 20 1 44 22 43 1 45 22 44 1 46 23 22 1 47 23 21 1 48 23 45 1 49 23 46 1