@MOLECULE 4-tert-butylphenyl diphenyl phosphate 50 52 0 0 0 SMALL USER_CHARGES @ATOM 1 P -1.0558 0.0083 0.3608 P.3 1 UNL111111111 0.3332 2 O 0.0614 0.8335 -0.4482 O.3 1 UNL111111111 -0.1999 3 O -2.3526 0.5812 -0.3991 O.3 1 UNL111111111 -0.2186 4 O -0.9297 -1.3772 -0.4453 O.3 1 UNL111111111 -0.2151 5 O -1.0345 -0.0053 1.8061 O.2 1 UNL111111111 -0.2403 6 C 5.6735 0.1272 0.0340 C.3 1 UNL111111111 0.1112 7 C 4.1749 0.3283 -0.0575 C.ar 1 UNL111111111 -0.0405 8 C 5.9469 -1.2923 0.5677 C.3 1 UNL111111111 -0.4593 9 C 6.2903 0.2910 -1.3679 C.3 1 UNL111111111 -0.4599 10 C 6.3548 1.1339 0.9763 C.3 1 UNL111111111 -0.4628 11 C 3.5017 1.3028 0.6812 C.ar 1 UNL111111111 -0.1498 12 C 3.4344 -0.5166 -0.8970 C.ar 1 UNL111111111 -0.1496 13 C 2.1157 1.4265 0.6128 C.ar 1 UNL111111111 -0.2002 14 C 2.0524 -0.4142 -0.9864 C.ar 1 UNL111111111 -0.1974 15 C 1.4056 0.5632 -0.2234 C.ar 1 UNL111111111 0.2194 16 C -2.7990 1.8698 -0.1554 C.ar 1 UNL111111111 0.2456 17 C -1.7874 -2.4313 -0.1761 C.ar 1 UNL111111111 0.2443 18 C -2.2872 2.9366 -0.9019 C.ar 1 UNL111111111 -0.2119 19 C -3.0109 -2.5234 -0.8480 C.ar 1 UNL111111111 -0.2110 20 C -3.9108 2.0169 0.6817 C.ar 1 UNL111111111 -0.2129 21 C -1.2869 -3.4825 0.6004 C.ar 1 UNL111111111 -0.2127 22 C -2.9239 4.1709 -0.8154 C.ar 1 UNL111111111 -0.1190 23 C -3.7331 -3.7088 -0.7488 C.ar 1 UNL111111111 -0.1192 24 C -4.5297 3.2617 0.7483 C.ar 1 UNL111111111 -0.1180 25 C -2.0283 -4.6575 0.6811 C.ar 1 UNL111111111 -0.1180 26 C -4.0402 4.3354 0.0047 C.ar 1 UNL111111111 -0.1944 27 C -3.2462 -4.7724 0.0112 C.ar 1 UNL111111111 -0.1941 28 H 7.0200 -1.4689 0.6913 H 1 UNL111111111 0.1455 29 H 5.4686 -1.4435 1.5421 H 1 UNL111111111 0.1501 30 H 5.5638 -2.0629 -0.1085 H 1 UNL111111111 0.1455 31 H 6.0544 1.2756 -1.7866 H 1 UNL111111111 0.1492 32 H 7.3803 0.1949 -1.3347 H 1 UNL111111111 0.1458 33 H 5.9177 -0.4619 -2.0692 H 1 UNL111111111 0.1452 34 H 7.4367 0.9641 1.0142 H 1 UNL111111111 0.1468 35 H 6.2013 2.1653 0.6415 H 1 UNL111111111 0.1471 36 H 5.9788 1.0448 2.0012 H 1 UNL111111111 0.1479 37 H 4.0495 1.9798 1.3345 H 1 UNL111111111 0.1529 38 H 3.9469 -1.2760 -1.4863 H 1 UNL111111111 0.1495 39 H 1.5987 2.1818 1.2023 H 1 UNL111111111 0.1725 40 H 1.4866 -1.0809 -1.6364 H 1 UNL111111111 0.1754 41 H -1.4146 2.8039 -1.5405 H 1 UNL111111111 0.1760 42 H -3.3875 -1.6898 -1.4398 H 1 UNL111111111 0.1760 43 H -4.2832 1.1757 1.2629 H 1 UNL111111111 0.1731 44 H -0.3384 -3.3827 1.1245 H 1 UNL111111111 0.1729 45 H -2.5461 5.0142 -1.3908 H 1 UNL111111111 0.1461 46 H -4.6853 -3.8048 -1.2669 H 1 UNL111111111 0.1461 47 H -5.3994 3.3981 1.3888 H 1 UNL111111111 0.1463 48 H -1.6563 -5.4903 1.2751 H 1 UNL111111111 0.1462 49 H -4.5287 5.3044 0.0667 H 1 UNL111111111 0.1474 50 H -3.8195 -5.6927 0.0841 H 1 UNL111111111 0.1474 @BOND 1 49 26 1 2 26 22 ar 3 26 24 ar 4 45 22 1 5 47 24 1 6 22 18 ar 7 24 20 ar 8 18 41 1 9 18 16 ar 10 20 16 ar 11 20 43 1 12 16 3 1 13 42 19 1 14 46 23 1 15 3 1 1 16 19 23 ar 17 19 17 ar 18 23 27 ar 19 1 2 1 20 1 4 1 21 1 5 2 22 2 15 1 23 17 4 1 24 17 21 ar 25 27 50 1 26 27 25 ar 27 40 14 1 28 15 14 ar 29 15 13 ar 30 39 13 1 31 21 25 ar 32 21 44 1 33 25 48 1 34 14 12 ar 35 13 11 ar 36 12 38 1 37 12 7 ar 38 11 37 1 39 11 7 ar 40 31 9 1 41 7 6 1 42 33 9 1 43 9 6 1 44 9 32 1 45 35 10 1 46 6 10 1 47 6 8 1 48 10 36 1 49 10 34 1 50 30 8 1 51 8 29 1 52 8 28 1