@MOLECULE [hydroxy(3-phenylpropyl)amino]methanol 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8514 1.0133 -0.8268 C.ar 1 UNL11111111 -0.1364 2 C -2.5672 1.2475 -0.3403 C.ar 1 UNL11111111 -0.1797 3 C -1.9316 0.2856 0.4473 C.ar 1 UNL11111111 0.0231 4 C -2.5864 -0.9129 0.7410 C.ar 1 UNL11111111 -0.1795 5 C -3.8701 -1.1440 0.2530 C.ar 1 UNL11111111 -0.1351 6 C -4.5049 -0.1814 -0.5303 C.ar 1 UNL11111111 -0.1667 7 C -0.5479 0.5292 0.9681 C.3 1 UNL11111111 -0.2941 8 C 0.4863 0.0202 -0.0462 C.3 1 UNL11111111 -0.2648 9 C 1.8942 0.0608 0.5692 C.3 1 UNL11111111 -0.1404 10 N 2.8845 -0.2979 -0.4725 N.4 1 UNL11111111 -0.2732 11 O 2.7834 -1.7053 -0.6449 O.3 1 UNL11111111 -0.3765 12 C 4.2832 -0.0838 -0.0016 C.3 1 UNL11111111 0.1190 13 O 4.4855 1.3049 0.0691 O.3 1 UNL11111111 -0.5465 14 H -4.3451 1.7653 -1.4390 H 1 UNL11111111 0.1471 15 H -2.0591 2.1799 -0.5756 H 1 UNL11111111 0.1520 16 H -2.0930 -1.6670 1.3502 H 1 UNL11111111 0.1529 17 H -4.3788 -2.0777 0.4847 H 1 UNL11111111 0.1475 18 H -5.5077 -0.3628 -0.9093 H 1 UNL11111111 0.1487 19 H -0.4057 0.0248 1.9457 H 1 UNL11111111 0.1505 20 H -0.3846 1.6071 1.1702 H 1 UNL11111111 0.1508 21 H 0.4522 0.6291 -0.9697 H 1 UNL11111111 0.1521 22 H 0.2416 -1.0131 -0.3597 H 1 UNL11111111 0.1519 23 H 1.9446 -0.6124 1.4519 H 1 UNL11111111 0.1367 24 H 2.1378 1.0893 0.9230 H 1 UNL11111111 0.1588 25 H 2.4926 -1.7837 -1.5959 H 1 UNL11111111 0.3051 26 H 4.9848 -0.5362 -0.7317 H 1 UNL11111111 0.1326 27 H 4.4964 -0.4362 1.0272 H 1 UNL11111111 0.1349 28 H 4.2049 1.7432 -0.7646 H 1 UNL11111111 0.3292 @BOND 1 25 11 1 2 14 1 1 3 21 8 1 4 18 6 1 5 1 6 ar 6 1 2 ar 7 28 13 1 8 26 12 1 9 11 10 1 10 15 2 1 11 6 5 ar 12 10 12 1 13 10 9 1 14 22 8 1 15 2 3 ar 16 8 9 1 17 8 7 1 18 12 13 1 19 12 27 1 20 5 17 1 21 5 4 ar 22 3 4 ar 23 3 7 1 24 9 24 1 25 9 23 1 26 4 16 1 27 7 20 1 28 7 19 1