@MOLECULE 1-{4-[(2r)-2-butanyl]-2,5-dimethoxyphenyl}-2-propanamine 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7269 -2.2854 0.3934 O.3 1 UNL1111111111 -0.3400 2 O 1.5327 2.1150 0.1638 O.3 1 UNL1111111111 -0.3128 3 N 4.9068 -1.0769 0.2218 N.3 1 UNL1111111111 -0.6652 4 C -2.9439 0.0816 -0.5545 C.3 1 UNL1111111111 -0.0949 5 C -1.4947 0.0249 -0.1622 C.ar 1 UNL1111111111 0.0047 6 C -3.7164 1.0854 0.3252 C.3 1 UNL1111111111 -0.2530 7 C 1.2286 -0.1402 0.5944 C.ar 1 UNL1111111111 -0.0613 8 C 2.6681 -0.2152 0.9765 C.3 1 UNL1111111111 -0.3337 9 C -0.9181 -1.1777 0.2523 C.ar 1 UNL1111111111 0.1112 10 C -0.6874 1.1651 -0.1960 C.ar 1 UNL1111111111 -0.2838 11 C 3.5062 -0.8324 -0.1813 C.3 1 UNL1111111111 0.1031 12 C 0.6506 1.0751 0.1750 C.ar 1 UNL1111111111 0.1996 13 C -3.0649 0.4628 -2.0365 C.3 1 UNL1111111111 -0.4473 14 C 0.4230 -1.2709 0.6302 C.ar 1 UNL1111111111 -0.1816 15 C -3.7072 0.6571 1.7917 C.3 1 UNL1111111111 -0.4392 16 C 3.4922 0.0873 -1.4075 C.3 1 UNL1111111111 -0.4623 17 C -1.5562 -3.2206 -0.6659 C.3 1 UNL1111111111 -0.1980 18 C 1.0089 3.4016 -0.1293 C.3 1 UNL1111111111 -0.2035 19 H -3.4079 -0.9301 -0.4094 H 1 UNL1111111111 0.1608 20 H -4.7585 1.1635 -0.0381 H 1 UNL1111111111 0.1337 21 H -3.2828 2.0970 0.2232 H 1 UNL1111111111 0.1336 22 H 3.0678 0.7865 1.2342 H 1 UNL1111111111 0.1623 23 H 2.7900 -0.8248 1.8935 H 1 UNL1111111111 0.1479 24 H 3.0690 -1.8287 -0.4550 H 1 UNL1111111111 0.1396 25 H -1.1191 2.1097 -0.5128 H 1 UNL1111111111 0.1673 26 H -2.4865 -0.2222 -2.6669 H 1 UNL1111111111 0.1459 27 H -4.1066 0.4225 -2.3710 H 1 UNL1111111111 0.1431 28 H -2.6928 1.4750 -2.2261 H 1 UNL1111111111 0.1448 29 H 0.8224 -2.2288 0.9589 H 1 UNL1111111111 0.1701 30 H -4.2617 1.3620 2.4186 H 1 UNL1111111111 0.1386 31 H -4.1555 -0.3346 1.9234 H 1 UNL1111111111 0.1468 32 H -2.6826 0.5977 2.1817 H 1 UNL1111111111 0.1530 33 H 4.1520 -0.3012 -2.1929 H 1 UNL1111111111 0.1562 34 H 3.8220 1.1022 -1.1619 H 1 UNL1111111111 0.1476 35 H 2.4808 0.1695 -1.8220 H 1 UNL1111111111 0.1537 36 H 4.9729 -1.6124 1.0701 H 1 UNL1111111111 0.2476 37 H 5.4300 -0.2253 0.3284 H 1 UNL1111111111 0.2487 38 H -0.5294 -3.5974 -0.6932 H 1 UNL1111111111 0.1295 39 H -1.8309 -2.7695 -1.6240 H 1 UNL1111111111 0.1261 40 H -2.2562 -4.0210 -0.3989 H 1 UNL1111111111 0.1435 41 H 0.6360 3.4451 -1.1573 H 1 UNL1111111111 0.1323 42 H 1.8941 4.0417 -0.0152 H 1 UNL1111111111 0.1498 43 H 0.2355 3.6878 0.5907 H 1 UNL1111111111 0.1355 @BOND 1 1 9 1 2 1 17 1 3 2 12 1 4 2 18 1 5 3 11 1 6 3 36 1 7 3 37 1 8 4 5 1 9 4 6 1 10 4 13 1 11 4 19 1 12 5 9 ar 13 5 10 ar 14 6 15 1 15 6 20 1 16 6 21 1 17 7 8 1 18 7 12 ar 19 7 14 ar 20 8 11 1 21 8 22 1 22 8 23 1 23 9 14 ar 24 10 12 ar 25 10 25 1 26 11 16 1 27 11 24 1 28 13 26 1 29 13 27 1 30 13 28 1 31 14 29 1 32 15 30 1 33 15 31 1 34 15 32 1 35 16 33 1 36 16 34 1 37 16 35 1 38 17 38 1 39 17 39 1 40 17 40 1 41 18 41 1 42 18 42 1 43 18 43 1