@MOLECULE 4-{4-[(2-chloroethyl)amino]phenyl}butanoic acid 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 CL 5.9845 -0.1474 -0.6164 Cl 1 UNL1111 -0.1658 2 O -6.5497 0.0642 -0.6760 O.3 1 UNL1111 -0.5785 3 O -5.0387 1.6058 -0.1370 O.2 1 UNL1111 -0.5067 4 N 3.0302 -0.1840 0.5941 N.pl3 1 UNL1111 -0.5313 5 C -2.5481 -0.5949 -0.4916 C.3 1 UNL1111 -0.2753 6 C -3.2904 -0.4893 0.8506 C.3 1 UNL1111 -0.2449 7 C -1.0752 -0.4737 -0.2552 C.ar 1 UNL1111 -0.0699 8 C -4.7968 -0.6892 0.6761 C.3 1 UNL1111 -0.3481 9 C -0.4795 0.7840 -0.1596 C.ar 1 UNL1111 -0.0942 10 C -0.2886 -1.6189 -0.1065 C.ar 1 UNL1111 -0.0984 11 C 1.6718 -0.2415 0.2394 C.ar 1 UNL1111 0.2224 12 C 0.8838 0.9103 0.0840 C.ar 1 UNL1111 -0.2717 13 C 1.0734 -1.5136 0.1337 C.ar 1 UNL1111 -0.2720 14 C 3.7634 1.0641 0.3130 C.3 1 UNL1111 -0.1030 15 C -5.4047 0.4640 -0.0548 C.2 1 UNL1111 0.6510 16 C 5.2412 0.8835 0.6330 C.3 1 UNL1111 -0.1943 17 H -2.7935 -1.5504 -0.9948 H 1 UNL1111 0.1449 18 H -2.9006 0.1996 -1.1828 H 1 UNL1111 0.1567 19 H -2.8902 -1.2408 1.5592 H 1 UNL1111 0.1482 20 H -3.0848 0.4998 1.3114 H 1 UNL1111 0.1610 21 H -5.0126 -1.6442 0.1482 H 1 UNL1111 0.1826 22 H -5.2936 -0.7890 1.6669 H 1 UNL1111 0.1777 23 H -1.0899 1.6809 -0.2749 H 1 UNL1111 0.1559 24 H -0.7473 -2.6043 -0.1805 H 1 UNL1111 0.1484 25 H 1.3206 1.8997 0.1618 H 1 UNL1111 0.1556 26 H 1.6759 -2.4098 0.2490 H 1 UNL1111 0.1571 27 H 3.5630 -1.0268 0.3920 H 1 UNL1111 0.2963 28 H 3.6190 1.4060 -0.7397 H 1 UNL1111 0.1493 29 H 3.3422 1.8659 0.9716 H 1 UNL1111 0.1610 30 H 5.4098 0.3789 1.6007 H 1 UNL1111 0.1703 31 H 5.7895 1.8395 0.6203 H 1 UNL1111 0.1606 32 H -7.0107 0.7846 -1.1681 H 1 UNL1111 0.3550 @BOND 1 1 16 1 2 2 15 1 3 2 32 1 4 3 15 2 5 4 11 1 6 4 14 1 7 4 27 1 8 5 6 1 9 5 7 1 10 5 17 1 11 5 18 1 12 6 8 1 13 6 19 1 14 6 20 1 15 7 9 ar 16 7 10 ar 17 8 15 1 18 8 21 1 19 8 22 1 20 9 12 ar 21 9 23 1 22 10 13 ar 23 10 24 1 24 11 12 ar 25 11 13 ar 26 12 25 1 27 13 26 1 28 14 16 1 29 14 28 1 30 14 29 1 31 16 30 1 32 16 31 1