@MOLECULE 1-(isopropylamino)-3-(2,4,6-tripropylphenoxy)-2-propanol 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3775 -0.6779 -0.6005 O.3 1 UNL1111111111 -0.3873 2 O 2.5343 -2.5052 -0.8077 O.3 1 UNL1111111111 -0.5805 3 N 4.3017 0.5238 0.0973 N.3 1 UNL1111111111 -0.5837 4 C -1.1173 1.1483 -0.2263 C.ar 1 UNL1111111111 -0.0167 5 C -1.6586 -1.1087 0.5612 C.ar 1 UNL1111111111 -0.0231 6 C -0.7842 -0.1991 -0.0452 C.ar 1 UNL1111111111 0.1324 7 C -3.2459 0.6979 0.8409 C.ar 1 UNL1111111111 0.0197 8 C -0.1769 2.0868 -0.9094 C.3 1 UNL1111111111 -0.2714 9 C -1.2828 -2.5493 0.6955 C.3 1 UNL1111111111 -0.2728 10 C -2.3618 1.5860 0.2261 C.ar 1 UNL1111111111 -0.2089 11 C -2.8950 -0.6433 1.0051 C.ar 1 UNL1111111111 -0.2063 12 C -4.5883 1.1790 1.3005 C.3 1 UNL1111111111 -0.2863 13 C 2.6523 -1.1062 -0.6181 C.3 1 UNL1111111111 0.1465 14 C 1.5110 -0.5923 0.2690 C.3 1 UNL1111111111 -0.0949 15 C 4.0184 -0.9246 0.0813 C.3 1 UNL1111111111 -0.1400 16 C -0.1431 1.7963 -2.4201 C.3 1 UNL1111111111 -0.2352 17 C -1.3938 -3.2495 -0.6706 C.3 1 UNL1111111111 -0.2400 18 C -5.6111 1.0158 0.1630 C.3 1 UNL1111111111 -0.2357 19 C 5.0723 0.9618 1.2895 C.3 1 UNL1111111111 0.1092 20 C 0.8467 2.7212 -3.1259 C.3 1 UNL1111111111 -0.4384 21 C -0.8874 -4.6876 -0.5871 C.3 1 UNL1111111111 -0.4438 22 C -6.9934 1.4971 0.5989 C.3 1 UNL1111111111 -0.4431 23 C 5.8667 2.2310 0.9408 C.3 1 UNL1111111111 -0.4799 24 C 4.0704 1.2580 2.4190 C.3 1 UNL1111111111 -0.4548 25 H -0.4631 3.1418 -0.7338 H 1 UNL1111111111 0.1407 26 H 0.8473 1.9839 -0.4905 H 1 UNL1111111111 0.1575 27 H -0.2466 -2.6453 1.0813 H 1 UNL1111111111 0.1520 28 H -1.9233 -3.0659 1.4367 H 1 UNL1111111111 0.1433 29 H -2.6498 2.6261 0.0907 H 1 UNL1111111111 0.1560 30 H -3.5947 -1.3313 1.4741 H 1 UNL1111111111 0.1569 31 H -4.5427 2.2389 1.6194 H 1 UNL1111111111 0.1466 32 H -4.9250 0.6201 2.1958 H 1 UNL1111111111 0.1468 33 H 2.6278 -0.6248 -1.6210 H 1 UNL1111111111 0.1377 34 H 1.6817 0.4541 0.5812 H 1 UNL1111111111 0.1537 35 H 1.3441 -1.2254 1.1545 H 1 UNL1111111111 0.1315 36 H 3.9710 -1.3388 1.1098 H 1 UNL1111111111 0.1490 37 H 4.7870 -1.5201 -0.4562 H 1 UNL1111111111 0.1348 38 H 0.1393 0.7365 -2.5863 H 1 UNL1111111111 0.1532 39 H -1.1552 1.9117 -2.8490 H 1 UNL1111111111 0.1334 40 H -0.8177 -2.6821 -1.4289 H 1 UNL1111111111 0.1478 41 H -2.4441 -3.2293 -1.0173 H 1 UNL1111111111 0.1389 42 H -5.6558 -0.0448 -0.1510 H 1 UNL1111111111 0.1401 43 H -5.2725 1.5787 -0.7282 H 1 UNL1111111111 0.1401 44 H 5.7867 0.1684 1.6297 H 1 UNL1111111111 0.1088 45 H 4.7431 0.8203 -0.7685 H 1 UNL1111111111 0.2623 46 H 0.5733 3.7740 -3.0015 H 1 UNL1111111111 0.1364 47 H 1.8617 2.5934 -2.7315 H 1 UNL1111111111 0.1447 48 H 0.8830 2.5141 -4.2010 H 1 UNL1111111111 0.1380 49 H 0.1638 -4.7283 -0.2787 H 1 UNL1111111111 0.1431 50 H -1.4643 -5.2759 0.1348 H 1 UNL1111111111 0.1423 51 H -0.9639 -5.1914 -1.5574 H 1 UNL1111111111 0.1426 52 H -7.7253 1.3833 -0.2086 H 1 UNL1111111111 0.1412 53 H -6.9799 2.5553 0.8823 H 1 UNL1111111111 0.1416 54 H -7.3639 0.9295 1.4596 H 1 UNL1111111111 0.1417 55 H 6.6405 2.0354 0.1924 H 1 UNL1111111111 0.1418 56 H 6.3630 2.6381 1.8278 H 1 UNL1111111111 0.1495 57 H 5.2074 3.0151 0.5473 H 1 UNL1111111111 0.1603 58 H 4.5796 1.6118 3.3188 H 1 UNL1111111111 0.1374 59 H 3.4926 0.3657 2.6828 H 1 UNL1111111111 0.1473 60 H 3.3510 2.0263 2.1088 H 1 UNL1111111111 0.1592 61 H 1.6038 -2.7323 -1.0246 H 1 UNL1111111111 0.3366 @BOND 1 1 6 1 2 1 14 1 3 2 13 1 4 2 61 1 5 3 15 1 6 3 19 1 7 3 45 1 8 4 6 ar 9 4 8 1 10 4 10 ar 11 5 6 ar 12 5 9 1 13 5 11 ar 14 7 10 ar 15 7 11 ar 16 7 12 1 17 8 16 1 18 8 25 1 19 8 26 1 20 9 17 1 21 9 27 1 22 9 28 1 23 10 29 1 24 11 30 1 25 12 18 1 26 12 31 1 27 12 32 1 28 13 14 1 29 13 15 1 30 13 33 1 31 14 34 1 32 14 35 1 33 15 36 1 34 15 37 1 35 16 20 1 36 16 38 1 37 16 39 1 38 17 21 1 39 17 40 1 40 17 41 1 41 18 22 1 42 18 42 1 43 18 43 1 44 19 23 1 45 19 24 1 46 19 44 1 47 20 46 1 48 20 47 1 49 20 48 1 50 21 49 1 51 21 50 1 52 21 51 1 53 22 52 1 54 22 53 1 55 22 54 1 56 23 55 1 57 23 56 1 58 23 57 1 59 24 58 1 60 24 59 1 61 24 60 1