@MOLECULE n-[(1r)-1-(3,4-dibutoxyphenyl)ethyl]-n'-(3,3-diphenylpropyl)-1,3-propanediamine 86 88 0 0 0 SMALL GASTEIGER @ATOM 1 C -8.4430 -0.9017 -0.0154 C.ar 1 UNL1111111111 0.0066 2 C -8.4496 -1.4730 1.2591 C.ar 1 UNL1111111111 -0.1628 3 C -9.4720 -2.3424 1.6290 C.ar 1 UNL1111111111 -0.1360 4 C -10.4931 -2.6449 0.7292 C.ar 1 UNL1111111111 -0.1606 5 C -10.4891 -2.0739 -0.5416 C.ar 1 UNL1111111111 -0.1377 6 C -9.4662 -1.2044 -0.9153 C.ar 1 UNL1111111111 -0.1763 7 C -7.2470 1.1612 0.5716 C.ar 1 UNL1111111111 0.0059 8 C -8.1553 2.2188 0.4546 C.ar 1 UNL1111111111 -0.1751 9 C -8.1421 3.2611 1.3768 C.ar 1 UNL1111111111 -0.1364 10 C -7.2208 3.2572 2.4232 C.ar 1 UNL1111111111 -0.1635 11 C -6.3088 2.2109 2.5371 C.ar 1 UNL1111111111 -0.1366 12 C -6.3208 1.1660 1.6148 C.ar 1 UNL1111111111 -0.1686 13 C -7.3357 0.0366 -0.4307 C.3 1 UNL1111111111 -0.1399 14 C -6.0360 -0.7709 -0.5973 C.3 1 UNL1111111111 -0.2872 15 C -4.9283 0.1049 -1.2071 C.3 1 UNL1111111111 -0.1112 16 N -3.6265 -0.5716 -1.0025 N.3 1 UNL1111111111 -0.5434 17 C -2.5130 0.2171 -1.5783 C.3 1 UNL1111111111 -0.1101 18 C -1.1890 -0.4884 -1.2411 C.3 1 UNL1111111111 -0.3031 19 C -0.0132 0.2711 -1.8749 C.3 1 UNL1111111111 -0.1072 20 N 1.2606 -0.3240 -1.4104 N.3 1 UNL1111111111 -0.5517 21 C 2.4343 0.2023 -2.1384 C.3 1 UNL1111111111 0.0740 22 C 2.5153 -0.2438 -3.6140 C.3 1 UNL1111111111 -0.4975 23 C 3.6926 -0.2546 -1.4279 C.ar 1 UNL1111111111 0.0021 24 C 4.6097 0.7191 -1.0011 C.ar 1 UNL1111111111 -0.2721 25 C 5.7864 0.3297 -0.3830 C.ar 1 UNL1111111111 0.1722 26 C 6.0584 -1.0521 -0.1736 C.ar 1 UNL1111111111 0.1496 27 C 5.1439 -2.0041 -0.5918 C.ar 1 UNL1111111111 -0.2385 28 C 3.9599 -1.5998 -1.2235 C.ar 1 UNL1111111111 -0.1683 29 O 6.7639 1.1545 0.0713 O.3 1 UNL1111111111 -0.3021 30 C 6.5668 2.5591 -0.1252 C.3 1 UNL1111111111 -0.0555 31 C 7.8583 3.1627 0.4317 C.3 1 UNL1111111111 -0.2914 32 C 7.8372 4.6867 0.2823 C.3 1 UNL1111111111 -0.2465 33 C 9.1220 5.3004 0.8386 C.3 1 UNL1111111111 -0.4382 34 O 7.2519 -1.2919 0.4293 O.3 1 UNL1111111111 -0.3036 35 C 7.5167 -2.6466 0.8088 C.3 1 UNL1111111111 -0.0556 36 C 8.8533 -2.5349 1.5468 C.3 1 UNL1111111111 -0.2902 37 C 9.2764 -3.9060 2.0818 C.3 1 UNL1111111111 -0.2461 38 C 10.5982 -3.8048 2.8429 C.3 1 UNL1111111111 -0.4384 39 H -7.6580 -1.2296 1.9666 H 1 UNL1111111111 0.1587 40 H -9.4749 -2.7842 2.6235 H 1 UNL1111111111 0.1489 41 H -11.2915 -3.3233 1.0197 H 1 UNL1111111111 0.1471 42 H -11.2859 -2.3067 -1.2446 H 1 UNL1111111111 0.1455 43 H -9.4704 -0.7637 -1.9096 H 1 UNL1111111111 0.1495 44 H -8.8842 2.2218 -0.3532 H 1 UNL1111111111 0.1512 45 H -8.8548 4.0778 1.2826 H 1 UNL1111111111 0.1461 46 H -7.2156 4.0677 3.1473 H 1 UNL1111111111 0.1460 47 H -5.5834 2.2063 3.3482 H 1 UNL1111111111 0.1477 48 H -5.5946 0.3585 1.7133 H 1 UNL1111111111 0.1652 49 H -7.5809 0.4836 -1.4328 H 1 UNL1111111111 0.1539 50 H -6.2263 -1.6543 -1.2355 H 1 UNL1111111111 0.1443 51 H -5.7005 -1.1813 0.3767 H 1 UNL1111111111 0.1644 52 H -4.8877 1.0872 -0.6816 H 1 UNL1111111111 0.1511 53 H -5.1482 0.3177 -2.2738 H 1 UNL1111111111 0.1087 54 H -3.6411 -1.5134 -1.3882 H 1 UNL1111111111 0.2508 55 H -2.5283 1.2288 -1.1135 H 1 UNL1111111111 0.1446 56 H -2.6094 0.3609 -2.6752 H 1 UNL1111111111 0.1054 57 H -1.2065 -1.5377 -1.5833 H 1 UNL1111111111 0.1360 58 H -1.0629 -0.5350 -0.1385 H 1 UNL1111111111 0.1747 59 H -0.0213 1.3342 -1.5427 H 1 UNL1111111111 0.1425 60 H -0.1127 0.2735 -2.9813 H 1 UNL1111111111 0.1097 61 H 1.2297 -1.3396 -1.4370 H 1 UNL1111111111 0.2580 62 H 2.3646 1.3235 -2.1048 H 1 UNL1111111111 0.1419 63 H 2.5061 -1.3342 -3.7060 H 1 UNL1111111111 0.1501 64 H 1.6823 0.1512 -4.2012 H 1 UNL1111111111 0.1434 65 H 3.4443 0.1118 -4.0747 H 1 UNL1111111111 0.1582 66 H 4.3796 1.7690 -1.1524 H 1 UNL1111111111 0.1626 67 H 5.3256 -3.0639 -0.4425 H 1 UNL1111111111 0.1604 68 H 3.2546 -2.3594 -1.5501 H 1 UNL1111111111 0.1476 69 H 6.4395 2.7700 -1.2002 H 1 UNL1111111111 0.1264 70 H 5.6761 2.8843 0.4384 H 1 UNL1111111111 0.1291 71 H 7.9825 2.8729 1.4935 H 1 UNL1111111111 0.1560 72 H 8.7324 2.7283 -0.0925 H 1 UNL1111111111 0.1561 73 H 7.7195 4.9653 -0.7825 H 1 UNL1111111111 0.1336 74 H 6.9597 5.1101 0.8076 H 1 UNL1111111111 0.1343 75 H 9.1210 6.3907 0.7322 H 1 UNL1111111111 0.1395 76 H 9.2471 5.0740 1.9036 H 1 UNL1111111111 0.1449 77 H 10.0069 4.9198 0.3159 H 1 UNL1111111111 0.1448 78 H 7.5902 -3.2704 -0.0978 H 1 UNL1111111111 0.1255 79 H 6.7086 -3.0142 1.4637 H 1 UNL1111111111 0.1282 80 H 8.7651 -1.8008 2.3723 H 1 UNL1111111111 0.1572 81 H 9.6251 -2.1206 0.8696 H 1 UNL1111111111 0.1543 82 H 9.3767 -4.6265 1.2476 H 1 UNL1111111111 0.1337 83 H 8.4911 -4.3146 2.7465 H 1 UNL1111111111 0.1348 84 H 10.9127 -4.7817 3.2260 H 1 UNL1111111111 0.1395 85 H 11.4031 -3.4286 2.2012 H 1 UNL1111111111 0.1444 86 H 10.5168 -3.1262 3.6999 H 1 UNL1111111111 0.1450 @BOND 1 1 2 ar 2 1 6 ar 3 1 13 1 4 2 3 ar 5 2 39 1 6 3 4 ar 7 3 40 1 8 4 5 ar 9 4 41 1 10 5 6 ar 11 5 42 1 12 6 43 1 13 7 8 ar 14 7 12 ar 15 7 13 1 16 8 9 ar 17 8 44 1 18 9 10 ar 19 9 45 1 20 10 11 ar 21 10 46 1 22 11 12 ar 23 11 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