@MOLECULE tris(3-methylphenyl) phosphate 44 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0646 0.6581 -0.6932 C.ar 1 UNL111111111 -0.2549 2 C -2.5086 -0.4093 0.0155 C.ar 1 UNL111111111 0.2656 3 C -3.2888 -1.2752 0.7909 C.ar 1 UNL111111111 -0.2354 4 C -4.6633 -1.0656 0.8285 C.ar 1 UNL111111111 -0.1012 5 C -5.2420 -0.0119 0.1224 C.ar 1 UNL111111111 -0.2355 6 C -4.4458 0.8504 -0.6360 C.ar 1 UNL111111111 0.0796 7 O -1.1920 -0.7801 -0.2053 O.3 1 UNL111111111 -0.2224 8 P 0.0078 -0.0618 0.5877 P.3 1 UNL111111111 0.3369 9 O -0.0282 1.3450 -0.1880 O.3 1 UNL111111111 -0.2097 10 C 0.9428 2.3060 0.0459 C.ar 1 UNL111111111 0.2603 11 C 0.5761 3.3974 0.8425 C.ar 1 UNL111111111 -0.2359 12 C 1.4325 4.4924 0.8926 C.ar 1 UNL111111111 -0.1025 13 C 2.6295 4.4922 0.1774 C.ar 1 UNL111111111 -0.2345 14 C 2.9852 3.3888 -0.6027 C.ar 1 UNL111111111 0.0791 15 C 2.1403 2.2800 -0.6724 C.ar 1 UNL111111111 -0.2531 16 O 0.0162 -0.0832 2.0319 O.2 1 UNL111111111 -0.2279 17 O 1.2295 -0.7240 -0.2207 O.3 1 UNL111111111 -0.2105 18 C 1.5662 -2.0538 -0.0236 C.ar 1 UNL111111111 0.2388 19 C 2.7170 -2.3017 0.7520 C.ar 1 UNL111111111 -0.2087 20 C 3.2359 -3.6023 0.7688 C.ar 1 UNL111111111 -0.1204 21 C 2.6324 -4.6250 0.0593 C.ar 1 UNL111111111 -0.1617 22 C 1.4618 -4.3696 -0.7278 C.ar 1 UNL111111111 -0.3626 23 C 0.9188 -3.0468 -0.7446 C.ar 1 UNL111111111 -0.1942 24 H -0.3552 3.3878 1.4037 H 1 UNL111111111 0.1739 25 H 1.1667 5.3557 1.5003 H 1 UNL111111111 0.1451 26 H 3.2886 5.3538 0.2309 H 1 UNL111111111 0.1503 27 C 4.2624 3.3876 -1.3732 C.3 1 UNL111111111 -0.4619 28 H 2.4086 1.4165 -1.2799 H 1 UNL111111111 0.1811 29 H 3.1917 -1.5072 1.3181 H 1 UNL111111111 0.1755 30 H 4.1305 -3.8056 1.3577 H 1 UNL111111111 0.1499 31 H 3.0370 -5.6315 0.0842 H 1 UNL111111111 0.1424 32 C 0.8713 -5.3625 -1.4406 C.3 1 UNL111111111 0.3416 33 H 0.0257 -2.8389 -1.3278 H 1 UNL111111111 0.1723 34 H -2.8301 -2.0900 1.3456 H 1 UNL111111111 0.1734 35 H -5.2933 -1.7286 1.4195 H 1 UNL111111111 0.1451 36 H -6.3165 0.1396 0.1661 H 1 UNL111111111 0.1503 37 C -5.0604 1.9779 -1.3949 C.3 1 UNL111111111 -0.4618 38 H -2.4370 1.3244 -1.2835 H 1 UNL111111111 0.1802 39 H -5.0235 1.7888 -2.4784 H 1 UNL111111111 0.1611 40 H -6.1131 2.1442 -1.1325 H 1 UNL111111111 0.1528 41 H -4.5299 2.9244 -1.2133 H 1 UNL111111111 0.1626 42 H 4.0722 3.5363 -2.4470 H 1 UNL111111111 0.1612 43 H 4.9515 4.1808 -1.0552 H 1 UNL111111111 0.1530 44 H 4.7996 2.4335 -1.2686 H 1 UNL111111111 0.1627 @BOND 1 43 27 1 2 42 27 1 3 44 27 1 4 27 14 1 5 26 13 1 6 14 13 ar 7 14 15 ar 8 13 12 ar 9 28 15 1 10 15 10 ar 11 30 20 1 12 12 25 1 13 12 11 ar 14 29 19 1 15 20 19 ar 16 20 21 ar 17 19 18 ar 18 10 11 ar 19 10 9 1 20 31 21 1 21 21 22 ar 22 11 24 1 23 17 18 1 24 17 8 1 25 18 23 ar 26 22 23 ar 27 22 32 1 28 9 8 1 29 23 33 1 30 8 16 2 31 8 7 1 32 7 2 1 33 38 1 1 34 1 2 ar 35 1 6 ar 36 2 3 ar 37 41 37 1 38 39 37 1 39 34 3 1 40 3 4 ar 41 6 37 1 42 6 5 ar 43 37 40 1 44 4 5 ar 45 4 35 1 46 5 36 1