@MOLECULE o-demethylencainide 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7161 3.0250 0.8011 O.2 1 UNL1111111111 -0.5040 2 O 5.2555 1.3510 -0.3849 O.3 1 UNL1111111111 -0.4715 3 N 0.6291 -2.0661 -0.8571 N.3 1 UNL1111111111 -0.4338 4 N -1.0485 1.0694 -0.3433 N.am 1 UNL1111111111 -0.5753 5 C -0.3869 -2.9381 -0.2150 C.3 1 UNL1111111111 0.0560 6 C 0.1659 -3.8727 0.8862 C.3 1 UNL1111111111 -0.3231 7 C 1.0573 -3.1359 1.8885 C.3 1 UNL1111111111 -0.2534 8 C 1.5387 -1.4350 0.1223 C.3 1 UNL1111111111 -0.1143 9 C -1.5297 -2.0488 0.3237 C.3 1 UNL1111111111 -0.2849 10 C 2.1690 -2.3923 1.1447 C.3 1 UNL1111111111 -0.3097 11 C -2.3347 -1.4584 -0.8451 C.3 1 UNL1111111111 -0.2801 12 C 1.3950 -2.7897 -1.8948 C.3 1 UNL1111111111 -0.2739 13 C -3.0992 -0.2432 -0.4245 C.ar 1 UNL1111111111 -0.0762 14 C -2.4556 0.9954 -0.1973 C.ar 1 UNL1111111111 0.1978 15 C -4.4795 -0.3305 -0.2674 C.ar 1 UNL1111111111 -0.1367 16 C -3.2195 2.1191 0.1452 C.ar 1 UNL1111111111 -0.2031 17 C -5.2321 0.7839 0.0966 C.ar 1 UNL1111111111 -0.1912 18 C -4.5979 2.0064 0.2955 C.ar 1 UNL1111111111 -0.1255 19 C -0.2562 2.0774 0.2017 C.2 1 UNL1111111111 0.5950 20 C 1.2068 1.8813 0.0285 C.ar 1 UNL1111111111 -0.2166 21 C 2.0134 2.0204 1.1596 C.ar 1 UNL1111111111 -0.0103 22 C 1.7658 1.5999 -1.2213 C.ar 1 UNL1111111111 -0.0361 23 C 3.3891 1.8405 1.0623 C.ar 1 UNL1111111111 -0.3292 24 C 3.1378 1.4271 -1.3441 C.ar 1 UNL1111111111 -0.2682 25 C 3.9280 1.5450 -0.1923 C.ar 1 UNL1111111111 0.3197 26 H -0.8229 -3.5930 -1.0192 H 1 UNL1111111111 0.1291 27 H 0.7419 -4.6891 0.4111 H 1 UNL1111111111 0.1373 28 H -0.6726 -4.3644 1.4119 H 1 UNL1111111111 0.1418 29 H 1.4885 -3.8509 2.6127 H 1 UNL1111111111 0.1323 30 H 0.4548 -2.4232 2.4841 H 1 UNL1111111111 0.1424 31 H 0.9502 -0.6612 0.6671 H 1 UNL1111111111 0.1420 32 H 2.3346 -0.8922 -0.4334 H 1 UNL1111111111 0.1409 33 H -1.1267 -1.2520 0.9743 H 1 UNL1111111111 0.1528 34 H -2.1965 -2.6417 0.9758 H 1 UNL1111111111 0.1431 35 H 2.8009 -1.8256 1.8509 H 1 UNL1111111111 0.1388 36 H 2.8422 -3.1082 0.6409 H 1 UNL1111111111 0.1385 37 H -3.0138 -2.2331 -1.2548 H 1 UNL1111111111 0.1461 38 H -1.6562 -1.2154 -1.6943 H 1 UNL1111111111 0.1644 39 H 1.9965 -2.0587 -2.4612 H 1 UNL1111111111 0.1460 40 H 0.7004 -3.2622 -2.6073 H 1 UNL1111111111 0.1405 41 H 2.0682 -3.5657 -1.5026 H 1 UNL1111111111 0.1216 42 H -4.9798 -1.2841 -0.4297 H 1 UNL1111111111 0.1478 43 H -2.7459 3.0911 0.3000 H 1 UNL1111111111 0.1939 44 H -6.3077 0.6981 0.2216 H 1 UNL1111111111 0.1486 45 H -0.5841 0.2341 -0.7208 H 1 UNL1111111111 0.3418 46 H -5.1800 2.8838 0.5732 H 1 UNL1111111111 0.1498 47 H 1.5580 2.2736 2.1217 H 1 UNL1111111111 0.1701 48 H 1.1253 1.5174 -2.1027 H 1 UNL1111111111 0.1650 49 H 4.0249 1.9372 1.9347 H 1 UNL1111111111 0.1645 50 H 3.6034 1.2088 -2.3015 H 1 UNL1111111111 0.1788 51 H 5.7773 1.4451 0.4487 H 1 UNL1111111111 0.3307 @BOND 1 1 19 2 2 2 25 1 3 2 51 1 4 3 5 1 5 3 8 1 6 3 12 1 7 4 14 1 8 4 19 am 9 4 45 1 10 5 6 1 11 5 9 1 12 5 26 1 13 6 7 1 14 6 27 1 15 6 28 1 16 7 10 1 17 7 29 1 18 7 30 1 19 8 10 1 20 8 31 1 21 8 32 1 22 9 11 1 23 9 33 1 24 9 34 1 25 10 35 1 26 10 36 1 27 11 13 1 28 11 37 1 29 11 38 1 30 12 39 1 31 12 40 1 32 12 41 1 33 13 14 ar 34 13 15 ar 35 14 16 ar 36 15 17 ar 37 15 42 1 38 16 18 ar 39 16 43 1 40 17 18 ar 41 17 44 1 42 18 46 1 43 19 20 1 44 20 21 ar 45 20 22 ar 46 21 23 ar 47 21 47 1 48 22 24 ar 49 22 48 1 50 23 25 ar 51 23 49 1 52 24 25 ar 53 24 50 1