@MOLECULE (7S,8R)-7-(3-fluoropropyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.4487 2.3117 -0.1187 F 1 UNL111111111 -0.2188 2 O 3.0933 -3.9312 -0.4863 O.3 1 UNL111111111 -0.4772 3 O 3.8922 0.5144 0.6316 O.3 1 UNL111111111 -0.4440 4 O 4.2955 3.1664 0.4630 O.3 1 UNL111111111 -0.4990 5 N -2.3478 -0.6853 0.1504 N.3 1 UNL111111111 -0.4486 6 C -0.9813 -0.1310 0.3253 C.3 1 UNL111111111 0.0696 7 C 0.0951 -1.1694 0.1062 C.ar 1 UNL111111111 -0.1301 8 C -0.7476 0.9848 -0.7277 C.3 1 UNL111111111 -0.3021 9 C -2.4839 -1.9812 0.8583 C.3 1 UNL111111111 -0.1020 10 C -0.1854 -2.5347 0.0542 C.ar 1 UNL111111111 0.0848 11 C -1.5969 -3.0155 0.1471 C.3 1 UNL111111111 -0.2932 12 C 1.4130 -0.7061 -0.0709 C.ar 1 UNL111111111 0.0876 13 C 0.5926 1.5943 -0.4684 C.ar 1 UNL111111111 0.0312 14 C -3.4022 0.2627 0.5905 C.3 1 UNL111111111 -0.1063 15 C 1.6523 0.7385 -0.0961 C.ar 1 UNL111111111 -0.1043 16 C 0.8392 -3.4620 -0.1363 C.ar 1 UNL111111111 -0.2917 17 C 2.4438 -1.6196 -0.2812 C.ar 1 UNL111111111 -0.3047 18 C -4.5603 0.1459 -0.4202 C.3 1 UNL111111111 -0.3150 19 C 2.1374 -2.9821 -0.2957 C.ar 1 UNL111111111 0.2999 20 C 0.7742 2.9681 -0.5670 C.ar 1 UNL111111111 -0.1819 21 C 2.8802 1.3190 0.2259 C.ar 1 UNL111111111 0.2262 22 C 3.0469 2.7180 0.1356 C.ar 1 UNL111111111 0.1211 23 C 2.0124 3.5442 -0.2674 C.ar 1 UNL111111111 -0.2127 24 C -5.7613 0.9921 -0.0008 C.3 1 UNL111111111 -0.0597 25 H -0.8480 0.3017 1.3561 H 1 UNL111111111 0.1294 26 H -1.5605 1.7326 -0.7014 H 1 UNL111111111 0.1567 27 H -0.7909 0.5430 -1.7477 H 1 UNL111111111 0.1794 28 H -3.5460 -2.3033 0.8102 H 1 UNL111111111 0.1332 29 H -2.2085 -1.9162 1.9332 H 1 UNL111111111 0.1200 30 H -1.9808 -3.1841 -0.8852 H 1 UNL111111111 0.1708 31 H -1.6646 -3.9906 0.6647 H 1 UNL111111111 0.1499 32 H -3.7607 0.0619 1.6212 H 1 UNL111111111 0.1174 33 H -3.0198 1.3063 0.6013 H 1 UNL111111111 0.1453 34 H 0.6442 -4.5290 -0.1715 H 1 UNL111111111 0.1761 35 H 3.4653 -1.2854 -0.4435 H 1 UNL111111111 0.1838 36 H -4.8648 -0.9131 -0.5268 H 1 UNL111111111 0.1538 37 H -4.1951 0.4356 -1.4273 H 1 UNL111111111 0.1690 38 H -0.0518 3.6076 -0.8727 H 1 UNL111111111 0.1616 39 H 2.1508 4.6181 -0.3457 H 1 UNL111111111 0.1574 40 H -6.0539 0.8007 1.0574 H 1 UNL111111111 0.1290 41 H -6.6452 0.7826 -0.6476 H 1 UNL111111111 0.1303 42 H 3.9935 -3.5337 -0.5604 H 1 UNL111111111 0.3272 43 H 4.6900 1.0527 0.8872 H 1 UNL111111111 0.3417 44 H 4.3359 4.1508 0.4793 H 1 UNL111111111 0.3386 @BOND 1 1 24 1 2 2 19 1 3 2 42 1 4 3 21 1 5 3 43 1 6 4 22 1 7 4 44 1 8 5 6 1 9 5 9 1 10 5 14 1 11 6 7 1 12 6 8 1 13 6 25 1 14 7 10 ar 15 7 12 ar 16 8 13 1 17 8 26 1 18 8 27 1 19 9 11 1 20 9 28 1 21 9 29 1 22 10 11 1 23 10 16 ar 24 11 30 1 25 11 31 1 26 12 15 1 27 12 17 ar 28 13 15 ar 29 13 20 ar 30 14 18 1 31 14 32 1 32 14 33 1 33 15 21 ar 34 16 19 ar 35 16 34 1 36 17 19 ar 37 17 35 1 38 18 24 1 39 18 36 1 40 18 37 1 41 20 23 ar 42 20 38 1 43 21 22 ar 44 22 23 ar 45 23 39 1 46 24 40 1 47 24 41 1