@MOLECULE 3-phenoxybenzylalcohol 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.8006 1.4827 0.2583 O.3 1 UNL11111111 -0.1282 2 O 2.8744 -2.5113 -0.2630 O.3 1 UNL11111111 -0.3616 3 C 2.3914 -0.3324 0.3817 C.ar 1 UNL11111111 0.5470 4 C 0.5107 1.1130 0.0748 C.ar 1 UNL11111111 0.2128 5 C 1.0229 -0.1050 0.5170 C.ar 1 UNL11111111 -0.5352 6 C 3.2145 0.6381 -0.1902 C.ar 1 UNL11111111 -0.3784 7 C 1.3146 2.1048 -0.4915 C.ar 1 UNL11111111 -0.3590 8 C 2.9764 -1.6349 0.8532 C.3 1 UNL11111111 -0.6975 9 C 2.6773 1.8522 -0.6188 C.ar 1 UNL11111111 -0.1408 10 C -1.7723 0.5288 0.0730 C.ar 1 UNL11111111 0.1850 11 C -1.6743 -0.5009 -0.8605 C.ar 1 UNL11111111 -0.4594 12 C -2.9225 0.7397 0.8393 C.ar 1 UNL11111111 -0.2904 13 C -2.7671 -1.3493 -1.0232 C.ar 1 UNL11111111 -0.0320 14 C -4.0018 -0.1178 0.6546 C.ar 1 UNL11111111 -0.0967 15 C -3.9251 -1.1612 -0.2697 C.ar 1 UNL11111111 -0.2557 16 H 0.3698 -0.8577 0.9522 H 1 UNL11111111 0.2891 17 H 4.2785 0.4462 -0.3100 H 1 UNL11111111 0.2187 18 H 0.8743 3.0429 -0.8199 H 1 UNL11111111 0.2240 19 H 4.0434 -1.5407 1.1303 H 1 UNL11111111 0.2557 20 H 2.4152 -2.0586 1.7071 H 1 UNL11111111 0.2734 21 H 3.3261 2.6062 -1.0617 H 1 UNL11111111 0.1827 22 H -0.7704 -0.6363 -1.4510 H 1 UNL11111111 0.2642 23 H -2.9598 1.5574 1.5540 H 1 UNL11111111 0.2167 24 H -2.7141 -2.1625 -1.7462 H 1 UNL11111111 0.1663 25 H -4.9108 0.0250 1.2372 H 1 UNL11111111 0.1796 26 H -4.7737 -1.8283 -0.4018 H 1 UNL11111111 0.1888 27 H 3.1220 -3.4189 0.0036 H 1 UNL11111111 0.3309 @BOND 1 24 13 1 2 22 11 1 3 21 9 1 4 13 11 ar 5 13 15 ar 6 11 10 ar 7 18 7 1 8 9 7 ar 9 9 6 ar 10 7 4 ar 11 26 15 1 12 17 6 1 13 15 14 ar 14 2 27 1 15 2 8 1 16 6 3 ar 17 10 1 1 18 10 12 ar 19 4 1 1 20 4 5 ar 21 3 5 ar 22 3 8 1 23 5 16 1 24 14 12 ar 25 14 25 1 26 12 23 1 27 8 19 1 28 8 20 1