@MOLECULE 1,4-pentanediamine, n4-(7-chloro-4-quinolinyl)-n1,n1-diethyl-, (r)- 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 CL 5.3082 2.5158 -0.3738 Cl 1 UNL1111111111 -0.0841 2 N 3.3453 -1.6730 1.6425 N.ar 1 UNL1111111111 -0.4541 3 C 2.3818 -2.5781 1.7589 C.ar 1 UNL1111111111 0.1570 4 C 1.1943 -2.5620 0.9998 C.ar 1 UNL1111111111 -0.4458 5 C 0.9913 -1.5395 0.0714 C.ar 1 UNL1111111111 0.3300 6 C 2.0151 -0.5261 -0.0722 C.ar 1 UNL1111111111 -0.2166 7 C 1.9178 0.5747 -0.9587 C.ar 1 UNL1111111111 -0.0818 8 C 2.9244 1.5051 -1.0488 C.ar 1 UNL1111111111 -0.2117 9 C 4.0667 1.3447 -0.2382 C.ar 1 UNL1111111111 0.0635 10 C 4.2212 0.3118 0.6398 C.ar 1 UNL1111111111 -0.1996 11 C 3.1732 -0.6533 0.7400 C.ar 1 UNL1111111111 0.2377 12 N -0.1466 -1.4461 -0.6833 N.pl3 1 UNL1111111111 -0.5326 13 C -1.2358 -2.4356 -0.6195 C.3 1 UNL1111111111 0.1255 14 C -2.5364 -1.7710 -1.1214 C.3 1 UNL1111111111 -0.3128 15 C -2.9951 -0.6740 -0.1594 C.3 1 UNL1111111111 -0.2769 16 C -4.2149 0.0755 -0.7312 C.3 1 UNL1111111111 -0.1140 17 N -4.5129 1.2096 0.1766 N.3 1 UNL1111111111 -0.4422 18 C -3.7195 2.4112 -0.1882 C.3 1 UNL1111111111 -0.0918 19 C -3.5512 3.3020 1.0498 C.3 1 UNL1111111111 -0.4449 20 C -5.9644 1.5067 0.2340 C.3 1 UNL1111111111 -0.0914 21 C -6.6540 0.4841 1.1482 C.3 1 UNL1111111111 -0.4457 22 C -0.8932 -3.6584 -1.4835 C.3 1 UNL1111111111 -0.4908 23 H 2.5588 -3.3738 2.4964 H 1 UNL1111111111 0.1665 24 H 0.4663 -3.3474 1.1504 H 1 UNL1111111111 0.1743 25 H 1.0288 0.6947 -1.5777 H 1 UNL1111111111 0.1454 26 H 2.8483 2.3526 -1.7286 H 1 UNL1111111111 0.1757 27 H 5.1028 0.1845 1.2724 H 1 UNL1111111111 0.1987 28 H -0.2026 -0.7719 -1.4307 H 1 UNL1111111111 0.3108 29 H -1.3745 -2.7512 0.4501 H 1 UNL1111111111 0.1504 30 H -3.3237 -2.5433 -1.2182 H 1 UNL1111111111 0.1505 31 H -2.3954 -1.3639 -2.1397 H 1 UNL1111111111 0.1426 32 H -2.1750 0.0398 0.0506 H 1 UNL1111111111 0.1570 33 H -3.2557 -1.0955 0.8310 H 1 UNL1111111111 0.1555 34 H -5.0828 -0.6163 -0.7733 H 1 UNL1111111111 0.1341 35 H -4.0239 0.3989 -1.7752 H 1 UNL1111111111 0.1105 36 H -4.1731 2.9873 -1.0214 H 1 UNL1111111111 0.1073 37 H -2.7136 2.0858 -0.5362 H 1 UNL1111111111 0.1351 38 H -2.7989 4.0775 0.8774 H 1 UNL1111111111 0.1423 39 H -4.4871 3.7932 1.3326 H 1 UNL1111111111 0.1412 40 H -3.2305 2.7011 1.9126 H 1 UNL1111111111 0.1649 41 H -6.1039 2.5245 0.6626 H 1 UNL1111111111 0.1378 42 H -6.4427 1.5163 -0.7675 H 1 UNL1111111111 0.1073 43 H -7.6893 0.7728 1.3506 H 1 UNL1111111111 0.1404 44 H -6.6584 -0.5191 0.7113 H 1 UNL1111111111 0.1411 45 H -6.1244 0.4127 2.1085 H 1 UNL1111111111 0.1622 46 H -0.8224 -3.4018 -2.5459 H 1 UNL1111111111 0.1545 47 H 0.0730 -4.0918 -1.1930 H 1 UNL1111111111 0.1633 48 H -1.6492 -4.4433 -1.3796 H 1 UNL1111111111 0.1536 @BOND 1 1 9 1 2 2 3 ar 3 2 11 ar 4 3 4 ar 5 3 23 1 6 4 5 ar 7 4 24 1 8 5 6 ar 9 5 12 1 10 6 7 ar 11 6 11 ar 12 7 8 ar 13 7 25 1 14 8 9 ar 15 8 26 1 16 9 10 ar 17 10 11 ar 18 10 27 1 19 12 13 1 20 12 28 1 21 13 14 1 22 13 22 1 23 13 29 1 24 14 15 1 25 14 30 1 26 14 31 1 27 15 16 1 28 15 32 1 29 15 33 1 30 16 17 1 31 16 34 1 32 16 35 1 33 17 18 1 34 17 20 1 35 18 19 1 36 18 36 1 37 18 37 1 38 19 38 1 39 19 39 1 40 19 40 1 41 20 21 1 42 20 41 1 43 20 42 1 44 21 43 1 45 21 44 1 46 21 45 1 47 22 46 1 48 22 47 1 49 22 48 1