@MOLECULE tetracaine 43 43 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.6217 0.1244 0.1263 O.3 1 UNL11111111 -0.4545 2 O -2.0471 2.2900 0.1974 O.2 1 UNL11111111 -0.5296 3 N 3.5873 -0.7724 -0.0773 N.pl3 1 UNL11111111 -0.5460 4 N -6.1967 -0.5093 0.1248 N.3 1 UNL11111111 -0.3835 5 C 6.0473 -0.7357 -0.0718 C.3 1 UNL11111111 -0.2997 6 C 4.7618 0.1063 -0.0432 C.3 1 UNL11111111 -0.0671 7 C 7.2748 0.1830 -0.0379 C.3 1 UNL11111111 -0.2441 8 C 2.3059 -0.2842 -0.0215 C.ar 1 UNL11111111 0.3288 9 C -4.7534 -0.7990 -0.0425 C.3 1 UNL11111111 -0.1504 10 C -3.9956 0.5208 0.2009 C.3 1 UNL11111111 -0.0057 11 C 8.5639 -0.6371 -0.0602 C.3 1 UNL11111111 -0.4391 12 C -0.3423 0.6114 0.0809 C.ar 1 UNL11111111 -0.2721 13 C 1.2341 -1.2145 -0.0263 C.ar 1 UNL11111111 -0.3566 14 C 2.0275 1.1013 0.0314 C.ar 1 UNL11111111 -0.3500 15 C -0.0709 -0.7614 0.0250 C.ar 1 UNL11111111 0.0299 16 C 0.7130 1.5319 0.0821 C.ar 1 UNL11111111 0.0238 17 C -1.7063 1.1324 0.1417 C.2 1 UNL11111111 0.6346 18 C -6.9278 -1.7124 0.5757 C.3 1 UNL11111111 -0.2806 19 C -6.7845 0.0120 -1.1278 C.3 1 UNL11111111 -0.2834 20 H 6.0728 -1.4310 0.7891 H 1 UNL11111111 0.1476 21 H 6.0743 -1.3681 -0.9800 H 1 UNL11111111 0.1483 22 H 4.7348 0.7379 0.8762 H 1 UNL11111111 0.1433 23 H 4.7331 0.7972 -0.9190 H 1 UNL11111111 0.1444 24 H 7.2560 0.8776 -0.9002 H 1 UNL11111111 0.1385 25 H 7.2504 0.8204 0.8672 H 1 UNL11111111 0.1384 26 H 3.7494 -1.7635 -0.0927 H 1 UNL11111111 0.3114 27 H -4.4209 -1.5484 0.7084 H 1 UNL11111111 0.1487 28 H -4.4910 -1.2162 -1.0361 H 1 UNL11111111 0.1292 29 H -4.1905 0.9397 1.2029 H 1 UNL11111111 0.1468 30 H -4.2031 1.2871 -0.5634 H 1 UNL11111111 0.1383 31 H 8.6300 -1.3087 0.8033 H 1 UNL11111111 0.1449 32 H 9.4474 0.0116 -0.0375 H 1 UNL11111111 0.1446 33 H 8.6346 -1.2534 -0.9635 H 1 UNL11111111 0.1449 34 H 1.4404 -2.2777 -0.0699 H 1 UNL11111111 0.1593 35 H 2.8319 1.8267 0.0324 H 1 UNL11111111 0.1626 36 H -0.8978 -1.4775 0.0232 H 1 UNL11111111 0.1640 37 H 0.4867 2.6032 0.1246 H 1 UNL11111111 0.1673 38 H -6.5376 -2.0184 1.5607 H 1 UNL11111111 0.1466 39 H -6.8674 -2.5693 -0.1105 H 1 UNL11111111 0.1173 40 H -7.9906 -1.4541 0.7176 H 1 UNL11111111 0.1458 41 H -6.2422 0.9225 -1.4321 H 1 UNL11111111 0.1489 42 H -7.8289 0.3080 -0.9338 H 1 UNL11111111 0.1460 43 H -6.7737 -0.6970 -1.9682 H 1 UNL11111111 0.1183 @BOND 1 43 19 1 2 41 19 1 3 19 42 1 4 19 4 1 5 28 9 1 6 21 5 1 7 33 11 1 8 23 6 1 9 24 7 1 10 30 10 1 11 39 18 1 12 26 3 1 13 3 6 1 14 3 8 1 15 5 6 1 16 5 7 1 17 5 20 1 18 34 13 1 19 11 7 1 20 11 32 1 21 11 31 1 22 6 22 1 23 9 4 1 24 9 10 1 25 9 27 1 26 7 25 1 27 13 8 ar 28 13 15 ar 29 8 14 ar 30 36 15 1 31 15 12 ar 32 14 35 1 33 14 16 ar 34 12 16 ar 35 12 17 1 36 16 37 1 37 4 18 1 38 1 17 1 39 1 10 1 40 17 2 2 41 10 29 1 42 18 40 1 43 18 38 1