@MOLECULE 4-(butylamino)benzoic acid 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7102 -0.7567 0.0350 O.3 1 UNL111111111 -0.5713 2 O -4.4601 1.4514 0.0135 O.2 1 UNL111111111 -0.5330 3 N 1.5799 -0.7512 -0.0408 N.pl3 1 UNL111111111 -0.5410 4 C 4.0072 -0.3423 -0.0020 C.3 1 UNL111111111 -0.2996 5 C 2.6092 0.2943 -0.0314 C.3 1 UNL111111111 -0.0691 6 C 5.0804 0.7533 0.0154 C.3 1 UNL111111111 -0.2440 7 C 0.2407 -0.4575 -0.0244 C.ar 1 UNL111111111 0.3313 8 C 6.4786 0.1384 0.0548 C.3 1 UNL111111111 -0.4389 9 C -0.2358 0.8750 -0.0312 C.ar 1 UNL111111111 -0.3528 10 C -0.6861 -1.5330 -0.0080 C.ar 1 UNL111111111 -0.3584 11 C -2.5102 0.0498 0.0002 C.ar 1 UNL111111111 -0.2796 12 C -1.5983 1.1131 -0.0186 C.ar 1 UNL111111111 0.0291 13 C -2.0431 -1.2719 0.0043 C.ar 1 UNL111111111 0.0385 14 C -3.9313 0.3656 0.0155 C.2 1 UNL111111111 0.6679 15 H 4.1517 -0.9978 -0.8823 H 1 UNL111111111 0.1485 16 H 4.1171 -0.9916 0.8877 H 1 UNL111111111 0.1482 17 H 2.4957 0.9350 -0.9387 H 1 UNL111111111 0.1449 18 H 2.4682 0.9551 0.8575 H 1 UNL111111111 0.1442 19 H 4.9364 1.4156 0.8911 H 1 UNL111111111 0.1385 20 H 4.9796 1.4015 -0.8765 H 1 UNL111111111 0.1386 21 H 1.8892 -1.7068 -0.0230 H 1 UNL111111111 0.3121 22 H 6.6651 -0.4969 -0.8185 H 1 UNL111111111 0.1451 23 H 7.2531 0.9143 0.0653 H 1 UNL111111111 0.1450 24 H 6.6234 -0.4788 0.9489 H 1 UNL111111111 0.1451 25 H 0.4560 1.7086 -0.0468 H 1 UNL111111111 0.1633 26 H -0.3274 -2.5560 -0.0048 H 1 UNL111111111 0.1605 27 H -1.9774 2.1413 -0.0232 H 1 UNL111111111 0.1670 28 H -2.7611 -2.0983 0.0177 H 1 UNL111111111 0.1675 29 H -5.6758 -0.5523 0.0458 H 1 UNL111111111 0.3525 @BOND 1 1 14 1 2 1 29 1 3 2 14 2 4 3 5 1 5 3 7 1 6 3 21 1 7 4 5 1 8 4 6 1 9 4 15 1 10 4 16 1 11 5 17 1 12 5 18 1 13 6 8 1 14 6 19 1 15 6 20 1 16 7 9 ar 17 7 10 ar 18 8 22 1 19 8 23 1 20 8 24 1 21 9 12 ar 22 9 25 1 23 10 13 ar 24 10 26 1 25 11 12 ar 26 11 13 ar 27 11 14 1 28 12 27 1 29 13 28 1