@MOLECULE phenoxyethanol 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.8776 -0.2867 0.1545 O.3 1 UNL11111111 -0.3643 2 O 3.7525 -0.4700 0.3628 O.3 1 UNL11111111 -0.5382 3 C 1.7492 0.8310 -0.0171 C.3 1 UNL11111111 -0.0958 4 C -0.4626 -0.0791 0.0873 C.ar 1 UNL11111111 0.2645 5 C 3.0046 0.1983 -0.6283 C.3 1 UNL11111111 -0.0135 6 C -1.0973 1.1602 0.1394 C.ar 1 UNL11111111 -0.3033 7 C -1.1846 -1.2775 -0.0346 C.ar 1 UNL11111111 -0.2537 8 C -2.4902 1.1950 0.0578 C.ar 1 UNL11111111 -0.0715 9 C -2.5677 -1.2140 -0.1082 C.ar 1 UNL11111111 -0.0764 10 C -3.2239 0.0193 -0.0679 C.ar 1 UNL11111111 -0.2246 11 H 1.3139 1.5933 -0.6815 H 1 UNL11111111 0.1354 12 H 1.9358 1.2573 0.9848 H 1 UNL11111111 0.1509 13 H 3.7060 0.9630 -1.0113 H 1 UNL11111111 0.1473 14 H 2.7466 -0.5146 -1.4349 H 1 UNL11111111 0.1348 15 H -0.5384 2.0810 0.2538 H 1 UNL11111111 0.1611 16 H -0.6545 -2.2256 -0.0685 H 1 UNL11111111 0.1712 17 H -3.0045 2.1544 0.0968 H 1 UNL11111111 0.1471 18 H -3.1471 -2.1319 -0.2056 H 1 UNL11111111 0.1505 19 H -4.3079 0.0575 -0.1311 H 1 UNL11111111 0.1547 20 H 3.1995 -1.1517 0.7966 H 1 UNL11111111 0.3238 @BOND 1 14 5 1 2 13 5 1 3 11 3 1 4 5 3 1 5 5 2 1 6 18 9 1 7 19 10 1 8 9 10 ar 9 9 7 ar 10 16 7 1 11 10 8 ar 12 7 4 ar 13 3 1 1 14 3 12 1 15 8 17 1 16 8 6 ar 17 4 6 ar 18 4 1 1 19 6 15 1 20 2 20 1