@MOLECULE 2,4-dinitro-6-[(2s)-2-pentanyl]phenol 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1543 2.4625 0.5770 O.3 1 UNL111111 -0.4230 2 O -3.2225 2.1255 0.6313 O.2 1 UNL111111 -0.3659 3 O -2.5929 2.2437 -1.4263 O.2 1 UNL111111 -0.3663 4 O -0.2070 -3.7159 0.0952 O.2 1 UNL111111 -0.3975 5 O -2.2246 -3.2199 -0.4725 O.2 1 UNL111111 -0.3917 6 N -2.5170 1.7877 -0.3008 N.pl3 1 UNL111111 0.6157 7 N -1.0968 -2.9117 -0.1260 N.pl3 1 UNL111111 0.6377 8 C 2.1732 0.6578 1.0651 C.3 1 UNL111111 -0.0818 9 C 3.2550 0.1689 0.0832 C.3 1 UNL111111 -0.2810 10 C 0.8051 0.2214 0.6210 C.ar 1 UNL111111 -0.0890 11 C 3.0718 0.7826 -1.3103 C.3 1 UNL111111 -0.2516 12 C 2.4543 0.1207 2.4744 C.3 1 UNL111111 -0.4492 13 C -0.2020 1.1822 0.3774 C.ar 1 UNL111111 0.3260 14 C 0.4924 -1.1171 0.4448 C.ar 1 UNL111111 -0.0342 15 C 4.1809 0.3166 -2.2525 C.3 1 UNL111111 -0.4403 16 C -1.4834 0.7901 -0.0421 C.ar 1 UNL111111 -0.2273 17 C -0.7958 -1.4987 0.0352 C.ar 1 UNL111111 -0.1433 18 C -1.7910 -0.5579 -0.2154 C.ar 1 UNL111111 0.0022 19 H 2.2251 1.7786 1.1033 H 1 UNL111111 0.1634 20 H 4.2533 0.4372 0.4804 H 1 UNL111111 0.1444 21 H 3.2510 -0.9345 0.0158 H 1 UNL111111 0.1425 22 H 2.0839 0.5046 -1.7243 H 1 UNL111111 0.1375 23 H 3.0705 1.8874 -1.2440 H 1 UNL111111 0.1380 24 H 2.4814 -0.9743 2.5008 H 1 UNL111111 0.1498 25 H 3.4205 0.4805 2.8474 H 1 UNL111111 0.1506 26 H 1.6883 0.4504 3.1865 H 1 UNL111111 0.1533 27 H 1.2521 -1.8907 0.6264 H 1 UNL111111 0.1957 28 H 5.1697 0.6195 -1.8909 H 1 UNL111111 0.1428 29 H 4.1869 -0.7742 -2.3579 H 1 UNL111111 0.1454 30 H 4.0545 0.7412 -3.2552 H 1 UNL111111 0.1451 31 H -2.7936 -0.8736 -0.5400 H 1 UNL111111 0.2059 32 H -0.5739 3.1093 0.3699 H 1 UNL111111 0.3458 @BOND 1 1 13 1 2 1 32 1 3 2 6 2 4 3 6 2 5 4 7 2 6 5 7 2 7 6 16 1 8 7 17 1 9 8 9 1 10 8 10 1 11 8 12 1 12 8 19 1 13 9 11 1 14 9 20 1 15 9 21 1 16 10 13 ar 17 10 14 ar 18 11 15 1 19 11 22 1 20 11 23 1 21 12 24 1 22 12 25 1 23 12 26 1 24 13 16 ar 25 14 17 ar 26 14 27 1 27 15 28 1 28 15 29 1 29 15 30 1 30 16 18 ar 31 17 18 ar 32 18 31 1