@MOLECULE n-hydroxy-2-phenylethanamine 21 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.7144 -0.6505 0.1429 O.3 1 UNL1 -0.3890 2 N -3.1438 0.5597 -0.3292 N.4 1 UNL1 -0.3111 3 C -0.9248 0.1687 0.6601 C.3 1 UNL1 -0.2926 4 C 0.5337 0.0580 0.3462 C.ar 1 UNL1 0.0104 5 C -1.7267 0.2628 -0.6533 C.3 1 UNL1 -0.1395 6 C 1.1086 -1.1951 0.1228 C.ar 1 UNL1 -0.1776 7 C 1.3217 1.2079 0.2598 C.ar 1 UNL1 -0.1775 8 C 2.4629 -1.2958 -0.1862 C.ar 1 UNL1 -0.1336 9 C 2.6760 1.1033 -0.0489 C.ar 1 UNL1 -0.1358 10 C 3.2485 -0.1477 -0.2727 C.ar 1 UNL1 -0.1638 11 H -1.2760 -0.7016 1.2511 H 1 UNL1 0.1571 12 H -1.1386 1.0549 1.2931 H 1 UNL1 0.1632 13 H -1.6032 -0.6738 -1.2377 H 1 UNL1 0.1398 14 H -1.3414 1.0991 -1.2774 H 1 UNL1 0.1482 15 H 0.4980 -2.0931 0.1898 H 1 UNL1 0.1537 16 H 0.8779 2.1857 0.4336 H 1 UNL1 0.1529 17 H 2.9083 -2.2735 -0.3600 H 1 UNL1 0.1483 18 H 3.2881 2.0004 -0.1150 H 1 UNL1 0.1471 19 H -3.6855 0.7113 -1.1831 H 1 UNL1 0.2459 20 H 4.3057 -0.2277 -0.5136 H 1 UNL1 0.1483 21 H -3.8574 -0.4638 1.1120 H 1 UNL1 0.3056 @BOND 1 14 5 1 2 13 5 1 3 19 2 1 4 5 2 1 5 5 3 1 6 20 10 1 7 17 8 1 8 2 1 1 9 10 8 ar 10 10 9 ar 11 8 6 ar 12 18 9 1 13 9 7 ar 14 6 15 1 15 6 4 ar 16 1 21 1 17 7 4 ar 18 7 16 1 19 4 3 1 20 3 11 1 21 3 12 1