@MOLECULE 4-cyano-n-[2-(3,4-dimethoxyphenyl)ethyl]-n,n,5-trimethyl-4-(3,4,5-trimethoxyphenyl)-1-hexanaminium 79 80 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9025 -2.4841 -2.7255 O.3 1 UNL1111 -0.2911 2 O -0.2002 -2.5571 1.9205 O.3 1 UNL1111 -0.3042 3 O -0.7788 -3.4038 -0.5411 O.3 1 UNL1111 -0.3110 4 O -5.7758 0.7220 -0.0859 O.3 1 UNL1111 -0.2813 5 O -4.7212 -1.5823 0.0245 O.3 1 UNL1111 -0.2832 6 N 0.4578 4.1696 -0.4975 N.4 1 UNL1111 -0.0655 7 N 4.9188 0.7124 -1.9107 N.1 1 UNL1111 -0.2826 8 C 1.5887 3.5217 0.3720 C.3 1 UNL1111 -0.2425 9 C 3.5814 0.1783 0.2723 C.3 1 UNL1111 0.0325 10 C 1.9724 2.1246 -0.1078 C.3 1 UNL1111 -0.2810 11 C 3.0403 1.5262 0.8173 C.3 1 UNL1111 -0.2763 12 C -0.7961 3.2758 -0.6054 C.3 1 UNL1111 -0.2028 13 C 4.5694 -0.4758 1.2984 C.3 1 UNL1111 -0.0613 14 C 0.9754 4.4176 -1.9243 C.3 1 UNL1111 -0.3831 15 C 0.0779 5.5294 0.1223 C.3 1 UNL1111 -0.3932 16 C 2.4190 -0.7701 0.0310 C.ar 1 UNL1111 0.1054 17 C -1.4213 2.9415 0.7567 C.3 1 UNL1111 -0.2938 18 C 5.0486 -1.8357 0.7828 C.3 1 UNL1111 -0.4602 19 C 5.7748 0.4241 1.5813 C.3 1 UNL1111 -0.4660 20 C 4.3172 0.4631 -0.9545 C.1 1 UNL1111 0.1247 21 C -2.2850 1.7268 0.6034 C.ar 1 UNL1111 0.0220 22 C 1.6385 -1.1640 1.1273 C.ar 1 UNL1111 -0.3690 23 C 2.1238 -1.2388 -1.2391 C.ar 1 UNL1111 -0.3227 24 C 1.0568 -2.1400 -1.4285 C.ar 1 UNL1111 0.2663 25 C 0.5974 -2.0664 0.9378 C.ar 1 UNL1111 0.2528 26 C 0.3005 -2.5813 -0.3411 C.ar 1 UNL1111 -0.0568 27 C -3.6572 1.8669 0.3512 C.ar 1 UNL1111 -0.2806 28 C -1.7145 0.4633 0.6800 C.ar 1 UNL1111 -0.1937 29 C -4.4382 0.7366 0.1649 C.ar 1 UNL1111 0.1648 30 C -2.4975 -0.6807 0.5003 C.ar 1 UNL1111 -0.2266 31 C -3.8507 -0.5554 0.2351 C.ar 1 UNL1111 0.1305 32 C -0.2793 -3.1871 -3.0947 C.3 1 UNL1111 -0.1901 33 C -0.1631 -1.8811 3.1720 C.3 1 UNL1111 -0.2034 34 C -0.5998 -4.7005 0.0285 C.3 1 UNL1111 -0.2103 35 C -6.4061 1.9866 -0.2367 C.3 1 UNL1111 -0.2138 36 C -4.1578 -2.8883 0.0337 C.3 1 UNL1111 -0.2125 37 H 2.4532 4.2029 0.3333 H 1 UNL1111 0.1236 38 H 1.2330 3.4965 1.4138 H 1 UNL1111 0.1228 39 H 1.0825 1.4628 -0.1326 H 1 UNL1111 0.1588 40 H 2.3444 2.1646 -1.1498 H 1 UNL1111 0.1490 41 H 3.8767 2.2417 0.9340 H 1 UNL1111 0.1466 42 H 2.6218 1.3779 1.8296 H 1 UNL1111 0.1473 43 H -0.5061 2.3467 -1.1329 H 1 UNL1111 0.1462 44 H -1.5344 3.7896 -1.2451 H 1 UNL1111 0.1281 45 H 4.0103 -0.6307 2.2538 H 1 UNL1111 0.1400 46 H 1.1908 3.4647 -2.4171 H 1 UNL1111 0.1429 47 H 0.2279 4.9581 -2.5098 H 1 UNL1111 0.1326 48 H 1.8934 5.0097 -1.8868 H 1 UNL1111 0.1362 49 H -0.2434 5.3903 1.1563 H 1 UNL1111 0.1324 50 H 0.9425 6.1966 0.1053 H 1 UNL1111 0.1325 51 H -0.7355 5.9859 -0.4454 H 1 UNL1111 0.1333 52 H -1.9982 3.8046 1.1383 H 1 UNL1111 0.1413 53 H -0.6336 2.7585 1.5153 H 1 UNL1111 0.1524 54 H 5.7089 -2.3239 1.5074 H 1 UNL1111 0.1466 55 H 4.2095 -2.5174 0.5949 H 1 UNL1111 0.1573 56 H 5.6078 -1.7419 -0.1563 H 1 UNL1111 0.1573 57 H 6.4731 -0.0640 2.2721 H 1 UNL1111 0.1508 58 H 5.4824 1.3750 2.0382 H 1 UNL1111 0.1449 59 H 6.3394 0.6540 0.6690 H 1 UNL1111 0.1586 60 H 1.8535 -0.7692 2.1136 H 1 UNL1111 0.1715 61 H 2.6910 -0.9341 -2.1185 H 1 UNL1111 0.1916 62 H -4.0888 2.8606 0.2986 H 1 UNL1111 0.1613 63 H -0.6470 0.3525 0.8643 H 1 UNL1111 0.1587 64 H -2.0263 -1.6629 0.5621 H 1 UNL1111 0.1844 65 H -0.2256 -3.1605 -4.1908 H 1 UNL1111 0.1441 66 H -1.1774 -2.6710 -2.7363 H 1 UNL1111 0.1508 67 H -0.2416 -4.2153 -2.7254 H 1 UNL1111 0.1350 68 H -0.9537 -2.3964 3.7337 H 1 UNL1111 0.1508 69 H -0.4147 -0.8209 3.0504 H 1 UNL1111 0.1475 70 H 0.8058 -2.0160 3.6596 H 1 UNL1111 0.1303 71 H 0.3293 -5.1606 -0.3177 H 1 UNL1111 0.1290 72 H -0.6166 -4.6429 1.1221 H 1 UNL1111 0.1413 73 H -1.4718 -5.2497 -0.3434 H 1 UNL1111 0.1416 74 H -6.3633 2.5595 0.6943 H 1 UNL1111 0.1320 75 H -5.9751 2.5458 -1.0728 H 1 UNL1111 0.1341 76 H -7.4415 1.6976 -0.4627 H 1 UNL1111 0.1525 77 H -3.3649 -2.9878 -0.7162 H 1 UNL1111 0.1421 78 H -3.7865 -3.1428 1.0310 H 1 UNL1111 0.1321 79 H -5.0211 -3.5118 -0.2301 H 1 UNL1111 0.1473 @BOND 1 1 24 1 2 1 32 1 3 2 25 1 4 2 33 1 5 3 26 1 6 3 34 1 7 4 29 1 8 4 35 1 9 5 31 1 10 5 36 1 11 6 8 1 12 6 12 1 13 6 14 1 14 6 15 1 15 7 20 3 16 8 10 1 17 8 37 1 18 8 38 1 19 9 11 1 20 9 13 1 21 9 16 1 22 9 20 1 23 10 11 1 24 10 39 1 25 10 40 1 26 11 41 1 27 11 42 1 28 12 17 1 29 12 43 1 30 12 44 1 31 13 18 1 32 13 19 1 33 13 45 1 34 14 46 1 35 14 47 1 36 14 48 1 37 15 49 1 38 15 50 1 39 15 51 1 40 16 22 ar 41 16 23 ar 42 17 21 1 43 17 52 1 44 17 53 1 45 18 54 1 46 18 55 1 47 18 56 1 48 19 57 1 49 19 58 1 50 19 59 1 51 21 27 ar 52 21 28 ar 53 22 25 ar 54 22 60 1 55 23 24 ar 56 23 61 1 57 24 26 ar 58 25 26 ar 59 27 29 ar 60 27 62 1 61 28 30 ar 62 28 63 1 63 29 31 ar 64 30 31 ar 65 30 64 1 66 32 65 1 67 32 66 1 68 32 67 1 69 33 68 1 70 33 69 1 71 33 70 1 72 34 71 1 73 34 72 1 74 34 73 1 75 35 74 1 76 35 75 1 77 35 76 1 78 36 77 1 79 36 78 1 80 36 79 1