@MOLECULE 4-(diethylamino)-3-methyl-2-butanyl 4-isobutoxybenzoate 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3923 1.1516 0.3874 O.3 1 UNL1111111111 -0.4534 2 O 4.6230 -0.2271 -0.5705 O.3 1 UNL1111111111 -0.3400 3 O -1.2197 1.9008 -1.7261 O.2 1 UNL1111111111 -0.5246 4 N -4.3233 -0.9972 -0.1554 N.3 1 UNL1111111111 -0.4531 5 C -3.3841 0.5646 1.4895 C.3 1 UNL1111111111 -0.1244 6 C -3.3637 -0.8950 0.9679 C.3 1 UNL1111111111 -0.1234 7 C -2.7911 1.4925 0.4111 C.3 1 UNL1111111111 0.1597 8 C -2.6137 0.6432 2.8074 C.3 1 UNL1111111111 -0.4458 9 C -3.8236 -1.8519 -1.2479 C.3 1 UNL1111111111 -0.0812 10 C -5.6800 -1.3692 0.3087 C.3 1 UNL1111111111 -0.0846 11 C -2.9106 2.9743 0.7417 C.3 1 UNL1111111111 -0.4910 12 C -3.5428 -3.3177 -0.8839 C.3 1 UNL1111111111 -0.4869 13 C -6.7180 -0.9091 -0.7247 C.3 1 UNL1111111111 -0.4457 14 C -0.7112 1.3895 -0.7570 C.2 1 UNL1111111111 0.6237 15 C 0.6840 0.9412 -0.6371 C.ar 1 UNL1111111111 -0.2293 16 C 6.6973 -0.9850 0.1708 C.3 1 UNL1111111111 -0.0786 17 C 5.2266 -0.8153 0.5882 C.3 1 UNL1111111111 -0.0617 18 C 1.1639 0.3442 0.5285 C.ar 1 UNL1111111111 0.0045 19 C 1.5294 1.1283 -1.7409 C.ar 1 UNL1111111111 -0.0072 20 C 3.3210 0.1221 -0.4963 C.ar 1 UNL1111111111 0.3041 21 C 7.3901 0.3774 0.1115 C.3 1 UNL1111111111 -0.4493 22 C 7.3944 -1.9118 1.1691 C.3 1 UNL1111111111 -0.4552 23 C 2.4895 -0.0731 0.6100 C.ar 1 UNL1111111111 -0.3411 24 C 2.8505 0.7220 -1.6804 C.ar 1 UNL1111111111 -0.2870 25 H -4.4429 0.8776 1.6557 H 1 UNL1111111111 0.1462 26 H -2.3347 -1.1384 0.6227 H 1 UNL1111111111 0.1495 27 H -3.5889 -1.6008 1.7922 H 1 UNL1111111111 0.1162 28 H -3.2357 1.2607 -0.5882 H 1 UNL1111111111 0.1638 29 H -2.6188 1.6623 3.2105 H 1 UNL1111111111 0.1471 30 H -3.0479 -0.0141 3.5672 H 1 UNL1111111111 0.1368 31 H -1.5633 0.3556 2.6734 H 1 UNL1111111111 0.1540 32 H -4.5621 -1.8040 -2.0793 H 1 UNL1111111111 0.1393 33 H -2.8945 -1.3743 -1.6387 H 1 UNL1111111111 0.1442 34 H -5.7854 -2.4574 0.5018 H 1 UNL1111111111 0.1102 35 H -5.8776 -0.8541 1.2752 H 1 UNL1111111111 0.1297 36 H -2.3304 3.2382 1.6329 H 1 UNL1111111111 0.1547 37 H -3.9527 3.2614 0.9133 H 1 UNL1111111111 0.1511 38 H -2.5289 3.5847 -0.0893 H 1 UNL1111111111 0.1663 39 H -2.8089 -3.3996 -0.0760 H 1 UNL1111111111 0.1464 40 H -4.4517 -3.8340 -0.5603 H 1 UNL1111111111 0.1435 41 H -3.1450 -3.8624 -1.7467 H 1 UNL1111111111 0.1486 42 H -6.5145 0.1227 -1.0423 H 1 UNL1111111111 0.1628 43 H -6.7016 -1.5336 -1.6233 H 1 UNL1111111111 0.1424 44 H -7.7283 -0.9435 -0.3080 H 1 UNL1111111111 0.1369 45 H 6.7235 -1.4484 -0.8480 H 1 UNL1111111111 0.1509 46 H 5.1122 -0.1386 1.4506 H 1 UNL1111111111 0.1325 47 H 4.7363 -1.7822 0.7910 H 1 UNL1111111111 0.1292 48 H 0.4976 0.2023 1.3840 H 1 UNL1111111111 0.1649 49 H 1.1324 1.5980 -2.6471 H 1 UNL1111111111 0.1738 50 H 7.4370 0.8561 1.0952 H 1 UNL1111111111 0.1442 51 H 8.4161 0.2875 -0.2614 H 1 UNL1111111111 0.1448 52 H 6.8539 1.0599 -0.5618 H 1 UNL1111111111 0.1578 53 H 6.9433 -2.9101 1.1804 H 1 UNL1111111111 0.1451 54 H 8.4533 -2.0375 0.9121 H 1 UNL1111111111 0.1515 55 H 7.3554 -1.5140 2.1892 H 1 UNL1111111111 0.1469 56 H 2.8540 -0.5378 1.5179 H 1 UNL1111111111 0.1641 57 H 3.5273 0.8551 -2.5200 H 1 UNL1111111111 0.1762 @BOND 1 1 7 1 2 1 14 1 3 2 17 1 4 2 20 1 5 3 14 2 6 4 6 1 7 4 9 1 8 4 10 1 9 5 6 1 10 5 7 1 11 5 8 1 12 5 25 1 13 6 26 1 14 6 27 1 15 7 11 1 16 7 28 1 17 8 29 1 18 8 30 1 19 8 31 1 20 9 12 1 21 9 32 1 22 9 33 1 23 10 13 1 24 10 34 1 25 10 35 1 26 11 36 1 27 11 37 1 28 11 38 1 29 12 39 1 30 12 40 1 31 12 41 1 32 13 42 1 33 13 43 1 34 13 44 1 35 14 15 1 36 15 18 ar 37 15 19 ar 38 16 17 1 39 16 21 1 40 16 22 1 41 16 45 1 42 17 46 1 43 17 47 1 44 18 23 ar 45 18 48 1 46 19 24 ar 47 19 49 1 48 20 23 ar 49 20 24 ar 50 21 50 1 51 21 51 1 52 21 52 1 53 22 53 1 54 22 54 1 55 22 55 1 56 23 56 1 57 24 57 1