@MOLECULE (2s)-hydroxy(4-hydroxyphenyl)acetonitrile 18 18 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.2063 -1.4719 0.6034 O.3 1 UNL1111111 -0.5130 2 O 3.6636 0.0377 -0.4116 O.3 1 UNL1111111 -0.4674 3 N -3.1616 1.1925 -1.2288 N.1 1 UNL1111111 -0.2175 4 C -0.3701 -0.0458 0.3649 C.ar 1 UNL1111111 -0.1334 5 C -1.8494 -0.1012 0.6353 C.3 1 UNL1111111 0.1747 6 C 0.3828 1.0116 0.8753 C.ar 1 UNL1111111 -0.0695 7 C 0.2368 -1.0548 -0.3908 C.ar 1 UNL1111111 -0.0366 8 C 1.7510 1.0773 0.6293 C.ar 1 UNL1111111 -0.3122 9 C 1.6008 -1.0135 -0.6427 C.ar 1 UNL1111111 -0.2540 10 C 2.3379 0.0591 -0.1263 C.ar 1 UNL1111111 0.3102 11 C -2.5833 0.6239 -0.4066 C.1 1 UNL1111111 0.0446 12 H -2.1021 0.3022 1.6530 H 1 UNL1111111 0.1528 13 H -0.0944 1.7942 1.4654 H 1 UNL1111111 0.1520 14 H -0.3682 -1.8797 -0.7793 H 1 UNL1111111 0.1756 15 H 2.3434 1.8984 1.0171 H 1 UNL1111111 0.1638 16 H 2.0995 -1.7853 -1.2245 H 1 UNL1111111 0.1815 17 H -3.1697 -1.5846 0.7561 H 1 UNL1111111 0.3197 18 H 4.1429 0.8169 -0.0385 H 1 UNL1111111 0.3285 @BOND 1 3 11 3 2 16 9 1 3 14 7 1 4 9 7 ar 5 9 10 ar 6 2 10 1 7 2 18 1 8 11 5 1 9 7 4 ar 10 10 8 ar 11 4 5 1 12 4 6 ar 13 1 5 1 14 1 17 1 15 8 6 ar 16 8 15 1 17 5 12 1 18 6 13 1