@MOLECULE etaphos 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 0.1719 -2.0066 0.5351 Cl 1 UNL111111 -0.0746 2 CL 5.2540 -0.6383 -0.2517 Cl 1 UNL111111 -0.0804 3 S -3.1483 0.7273 -0.7377 S.3 1 UNL111111 0.1786 4 P -1.3693 1.6718 -0.1857 P.3 1 UNL111111 0.2516 5 O -0.4317 0.4752 -0.7693 O.3 1 UNL111111 -0.3604 6 O -1.0691 1.7798 1.3704 O.3 1 UNL111111 -0.2793 7 O -1.1128 3.0134 -0.7028 O.2 1 UNL111111 -0.2257 8 C -2.9917 -1.1004 -0.3899 C.3 1 UNL111111 -0.2867 9 C -4.3692 -1.7186 -0.6129 C.3 1 UNL111111 -0.2476 10 C -4.2875 -3.2308 -0.3851 C.3 1 UNL111111 -0.4398 11 C 0.9021 0.3335 -0.5914 C.ar 1 UNL111111 0.2905 12 C -1.1016 0.7329 2.3604 C.3 1 UNL111111 -0.0037 13 C 1.3246 -0.8822 -0.0268 C.ar 1 UNL111111 -0.0924 14 C 1.8595 1.2444 -1.0653 C.ar 1 UNL111111 -0.2100 15 C 0.3005 0.7031 2.9601 C.3 1 UNL111111 -0.4699 16 C 2.6693 -1.2058 0.0776 C.ar 1 UNL111111 -0.1452 17 C 3.2108 0.9351 -0.9597 C.ar 1 UNL111111 -0.1184 18 C 3.5891 -0.2758 -0.3884 C.ar 1 UNL111111 -0.0314 19 H -2.6450 -1.3017 0.6394 H 1 UNL111111 0.1595 20 H -2.2450 -1.5510 -1.0745 H 1 UNL111111 0.1773 21 H -5.1230 -1.2823 0.0733 H 1 UNL111111 0.1438 22 H -4.7405 -1.5227 -1.6397 H 1 UNL111111 0.1467 23 H -3.9459 -3.4706 0.6284 H 1 UNL111111 0.1461 24 H -5.2659 -3.7053 -0.5209 H 1 UNL111111 0.1430 25 H -3.5934 -3.7077 -1.0876 H 1 UNL111111 0.1496 26 H -1.8485 1.1235 3.0877 H 1 UNL111111 0.1298 27 H -1.4253 -0.2665 2.0272 H 1 UNL111111 0.1195 28 H 1.5496 2.1906 -1.5157 H 1 UNL111111 0.1942 29 H 0.3129 0.1571 3.9090 H 1 UNL111111 0.1507 30 H 1.0291 0.2295 2.2913 H 1 UNL111111 0.1580 31 H 0.6661 1.7232 3.1496 H 1 UNL111111 0.1662 32 H 2.9898 -2.1551 0.5116 H 1 UNL111111 0.1846 33 H 3.9611 1.6404 -1.3230 H 1 UNL111111 0.1757 @BOND 1 22 9 1 2 28 14 1 3 33 17 1 4 25 10 1 5 20 8 1 6 14 17 ar 7 14 11 ar 8 17 18 ar 9 5 11 1 10 5 4 1 11 3 8 1 12 3 4 1 13 7 4 2 14 9 8 1 15 9 10 1 16 9 21 1 17 11 13 ar 18 24 10 1 19 8 19 1 20 18 2 1 21 18 16 ar 22 10 23 1 23 4 6 1 24 13 16 ar 25 13 1 1 26 16 32 1 27 6 12 1 28 27 12 1 29 30 15 1 30 12 15 1 31 12 26 1 32 15 31 1 33 15 29 1