@MOLECULE tolycaine [ban:inn] 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0274 -2.5408 -1.1413 O.2 1 UNL1111111111 -0.5337 2 O 1.0044 2.9071 -0.5235 O.3 1 UNL1111111111 -0.3888 3 O -0.3272 1.8487 0.9378 O.2 1 UNL1111111111 -0.5276 4 N -2.6854 -0.6191 0.0648 N.3 1 UNL1111111111 -0.4535 5 N 0.0177 -0.9061 0.4644 N.am 1 UNL1111111111 -0.5666 6 C -2.1330 -1.9695 -0.1420 C.3 1 UNL1111111111 -0.1921 7 C -3.2433 -0.0418 -1.1803 C.3 1 UNL1111111111 -0.0789 8 C -3.6353 -0.5468 1.2005 C.3 1 UNL1111111111 -0.0788 9 C -0.6173 -1.8379 -0.3517 C.2 1 UNL1111111111 0.5902 10 C 1.3773 -0.5533 0.3115 C.ar 1 UNL1111111111 0.2365 11 C -2.1050 0.3066 -2.1464 C.3 1 UNL1111111111 -0.4553 12 C -3.6274 0.8845 1.7531 C.3 1 UNL1111111111 -0.4528 13 C 2.4043 -1.5219 0.3184 C.ar 1 UNL1111111111 0.0003 14 C 1.7166 0.8120 0.2029 C.ar 1 UNL1111111111 -0.2236 15 C 3.7240 -1.1082 0.1421 C.ar 1 UNL1111111111 -0.1155 16 C 3.0486 1.1996 0.0363 C.ar 1 UNL1111111111 -0.0705 17 C 2.1273 -2.9679 0.5322 C.3 1 UNL1111111111 -0.4413 18 C 4.0499 0.2395 -0.0071 C.ar 1 UNL1111111111 -0.1959 19 C 0.6836 1.8549 0.2750 C.2 1 UNL1111111111 0.6134 20 C 0.0583 3.9724 -0.5442 C.3 1 UNL1111111111 -0.1718 21 H -2.5606 -2.4978 -1.0245 H 1 UNL1111111111 0.1613 22 H -2.3046 -2.6351 0.7318 H 1 UNL1111111111 0.1586 23 H -3.7920 0.8902 -0.9143 H 1 UNL1111111111 0.1403 24 H -3.9752 -0.7173 -1.6724 H 1 UNL1111111111 0.1114 25 H -4.6646 -0.8516 0.9187 H 1 UNL1111111111 0.1113 26 H -3.2996 -1.2436 2.0006 H 1 UNL1111111111 0.1337 27 H -0.5909 -0.1989 0.9164 H 1 UNL1111111111 0.3636 28 H -1.3597 0.9471 -1.6558 H 1 UNL1111111111 0.1592 29 H -1.5777 -0.5871 -2.5022 H 1 UNL1111111111 0.1584 30 H -2.4828 0.8413 -3.0229 H 1 UNL1111111111 0.1442 31 H -4.0257 0.9189 2.7706 H 1 UNL1111111111 0.1411 32 H -4.2126 1.5712 1.1354 H 1 UNL1111111111 0.1403 33 H -2.5983 1.2835 1.7818 H 1 UNL1111111111 0.1832 34 H 4.5199 -1.8535 0.1270 H 1 UNL1111111111 0.1539 35 H 3.2967 2.2581 -0.0625 H 1 UNL1111111111 0.1645 36 H 1.8687 -3.4622 -0.4246 H 1 UNL1111111111 0.1907 37 H 2.9846 -3.5052 0.9545 H 1 UNL1111111111 0.1447 38 H 1.2742 -3.1347 1.2059 H 1 UNL1111111111 0.1626 39 H 5.0867 0.5360 -0.1498 H 1 UNL1111111111 0.1568 40 H 0.5137 4.6892 -1.2363 H 1 UNL1111111111 0.1446 41 H -0.9060 3.6115 -0.9184 H 1 UNL1111111111 0.1416 42 H -0.0576 4.3985 0.4576 H 1 UNL1111111111 0.1401 @BOND 1 1 9 2 2 2 19 1 3 2 20 1 4 3 19 2 5 4 6 1 6 4 7 1 7 4 8 1 8 5 9 am 9 5 10 1 10 5 27 1 11 6 9 1 12 6 21 1 13 6 22 1 14 7 11 1 15 7 23 1 16 7 24 1 17 8 12 1 18 8 25 1 19 8 26 1 20 10 13 ar 21 10 14 ar 22 11 28 1 23 11 29 1 24 11 30 1 25 12 31 1 26 12 32 1 27 12 33 1 28 13 15 ar 29 13 17 1 30 14 16 ar 31 14 19 1 32 15 18 ar 33 15 34 1 34 16 18 ar 35 16 35 1 36 17 36 1 37 17 37 1 38 17 38 1 39 18 39 1 40 20 40 1 41 20 41 1 42 20 42 1