@MOLECULE n-[(2s)-4-methyl-2-pentanyl]-n'-phenyl-1,4-benzenediamine 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.7640 -0.7943 -0.1042 N.pl3 1 UNL111111111 -0.5625 2 N 2.7876 -1.2028 0.4960 N.pl3 1 UNL111111111 -0.5227 3 C -4.9207 0.2747 -0.6746 C.3 1 UNL111111111 -0.3231 4 C -3.4436 0.0646 -1.0788 C.3 1 UNL111111111 0.1230 5 C -5.1739 1.0438 0.6380 C.3 1 UNL111111111 -0.0482 6 C -3.4062 -0.5746 -2.4827 C.3 1 UNL111111111 -0.5022 7 C -4.4579 2.3982 0.6552 C.3 1 UNL111111111 -0.4553 8 C -4.7884 0.2266 1.8760 C.3 1 UNL111111111 -0.4551 9 C -1.3788 -0.8670 -0.0339 C.ar 1 UNL111111111 0.2354 10 C -0.8262 -1.7483 0.9245 C.ar 1 UNL111111111 -0.2600 11 C -0.5248 -0.0669 -0.8103 C.ar 1 UNL111111111 -0.2636 12 C 1.3949 -1.0199 0.3029 C.ar 1 UNL111111111 0.1048 13 C 0.5426 -1.8054 1.1005 C.ar 1 UNL111111111 -0.1312 14 C 0.8531 -0.1516 -0.6489 C.ar 1 UNL111111111 -0.1428 15 C 3.7527 -0.2397 0.1879 C.ar 1 UNL111111111 0.2534 16 C 5.0345 -0.6935 -0.1869 C.ar 1 UNL111111111 -0.2947 17 C 3.5134 1.1374 0.3461 C.ar 1 UNL111111111 -0.2694 18 C 6.0566 0.2238 -0.3865 C.ar 1 UNL111111111 -0.0692 19 C 4.5562 2.0360 0.1573 C.ar 1 UNL111111111 -0.0729 20 C 5.8244 1.5866 -0.2114 C.ar 1 UNL111111111 -0.2380 21 H -5.4349 -0.7028 -0.6269 H 1 UNL111111111 0.1401 22 H -5.4151 0.8325 -1.4969 H 1 UNL111111111 0.1446 23 H -2.9262 1.0618 -1.1031 H 1 UNL111111111 0.1462 24 H -6.2779 1.2354 0.6852 H 1 UNL111111111 0.1230 25 H -3.2934 -1.5848 0.2315 H 1 UNL111111111 0.3018 26 H -2.3754 -0.7710 -2.8028 H 1 UNL111111111 0.1611 27 H -3.9341 -1.5334 -2.5031 H 1 UNL111111111 0.1506 28 H -3.8634 0.0817 -3.2283 H 1 UNL111111111 0.1509 29 H -4.6994 2.9968 -0.2253 H 1 UNL111111111 0.1383 30 H -4.7433 2.9802 1.5399 H 1 UNL111111111 0.1439 31 H -3.3688 2.2758 0.6915 H 1 UNL111111111 0.1537 32 H -5.1461 -0.8044 1.8092 H 1 UNL111111111 0.1350 33 H -3.6981 0.1904 2.0038 H 1 UNL111111111 0.1645 34 H -5.2058 0.6678 2.7865 H 1 UNL111111111 0.1402 35 H -1.4785 -2.3703 1.5307 H 1 UNL111111111 0.1557 36 H -0.9297 0.6169 -1.5528 H 1 UNL111111111 0.1600 37 H 0.9677 -2.4609 1.8604 H 1 UNL111111111 0.1577 38 H 1.5102 0.4587 -1.2689 H 1 UNL111111111 0.1635 39 H 3.0941 -2.1674 0.5024 H 1 UNL111111111 0.3048 40 H 5.2196 -1.7561 -0.3164 H 1 UNL111111111 0.1536 41 H 2.5306 1.4871 0.6491 H 1 UNL111111111 0.1689 42 H 7.0468 -0.1241 -0.6821 H 1 UNL111111111 0.1431 43 H 4.3843 3.1022 0.3087 H 1 UNL111111111 0.1443 44 H 6.6305 2.2977 -0.3580 H 1 UNL111111111 0.1489 @BOND 1 1 4 1 2 1 9 1 3 1 25 1 4 2 12 1 5 2 15 1 6 2 39 1 7 3 4 1 8 3 5 1 9 3 21 1 10 3 22 1 11 4 6 1 12 4 23 1 13 5 7 1 14 5 8 1 15 5 24 1 16 6 26 1 17 6 27 1 18 6 28 1 19 7 29 1 20 7 30 1 21 7 31 1 22 8 32 1 23 8 33 1 24 8 34 1 25 9 10 ar 26 9 11 ar 27 10 13 ar 28 10 35 1 29 11 14 ar 30 11 36 1 31 12 13 ar 32 12 14 ar 33 13 37 1 34 14 38 1 35 15 16 ar 36 15 17 ar 37 16 18 ar 38 16 40 1 39 17 19 ar 40 17 41 1 41 18 20 ar 42 18 42 1 43 19 20 ar 44 19 43 1 45 20 44 1