@MOLECULE 2,4,6-triisopropylbenzenesulfonyl chloride 42 42 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -2.4336 0.9463 -1.4979 Cl 1 UNL111111 -0.4653 2 S -2.1834 -0.0180 0.3328 S.O2 1 UNL111111 2.2287 3 O -2.6410 0.9098 1.3257 O.2 1 UNL111111 -0.8270 4 O -2.8576 -1.2714 0.1584 O.2 1 UNL111111 -0.8298 5 C 0.3244 1.0269 0.3017 C.ar 1 UNL111111 0.1318 6 C 0.1853 -1.3999 0.2090 C.ar 1 UNL111111 0.1356 7 C -0.4529 -0.1490 0.3084 C.ar 1 UNL111111 -0.5002 8 C 2.3254 -0.2904 -0.1021 C.ar 1 UNL111111 0.0938 9 C -0.2084 2.4303 0.5137 C.3 1 UNL111111 -0.1046 10 C -0.5188 -2.7361 0.3276 C.3 1 UNL111111 -0.1003 11 C 3.8031 -0.3766 -0.3786 C.3 1 UNL111111 -0.1015 12 C 1.7011 0.9387 0.0892 C.ar 1 UNL111111 -0.2554 13 C 1.5615 -1.4511 -0.0249 C.ar 1 UNL111111 -0.2701 14 C 0.0622 3.2836 -0.7327 C.3 1 UNL111111 -0.4450 15 C 0.4602 3.0418 1.7555 C.3 1 UNL111111 -0.4401 16 C 0.3117 -3.7412 1.1423 C.3 1 UNL111111 -0.4489 17 C -0.7894 -3.2727 -1.0837 C.3 1 UNL111111 -0.4365 18 C 4.5900 0.1887 0.8097 C.3 1 UNL111111 -0.4437 19 C 4.1364 0.3787 -1.6707 C.3 1 UNL111111 -0.4432 20 H -1.3117 2.4643 0.7093 H 1 UNL111111 0.1812 21 H -1.5003 -2.6496 0.8660 H 1 UNL111111 0.1814 22 H 4.1000 -1.4489 -0.5153 H 1 UNL111111 0.1446 23 H 2.3021 1.8475 0.0626 H 1 UNL111111 0.1663 24 H 2.0498 -2.4161 -0.1568 H 1 UNL111111 0.1658 25 H -0.3086 2.7970 -1.6440 H 1 UNL111111 0.1615 26 H -0.4437 4.2534 -0.6566 H 1 UNL111111 0.1506 27 H 1.1280 3.4813 -0.8787 H 1 UNL111111 0.1389 28 H 1.5393 3.1679 1.6328 H 1 UNL111111 0.1386 29 H 0.0376 4.0297 1.9743 H 1 UNL111111 0.1499 30 H 0.2951 2.4143 2.6402 H 1 UNL111111 0.1529 31 H 1.1663 -4.1315 0.5812 H 1 UNL111111 0.1421 32 H -0.3021 -4.6049 1.4257 H 1 UNL111111 0.1484 33 H 0.6913 -3.2914 2.0663 H 1 UNL111111 0.1468 34 H -1.5244 -2.6490 -1.6120 H 1 UNL111111 0.1651 35 H -1.2100 -4.2841 -1.0431 H 1 UNL111111 0.1478 36 H 0.1195 -3.3132 -1.6911 H 1 UNL111111 0.1396 37 H 4.3908 1.2555 0.9604 H 1 UNL111111 0.1481 38 H 5.6695 0.0746 0.6573 H 1 UNL111111 0.1524 39 H 4.3286 -0.3280 1.7407 H 1 UNL111111 0.1486 40 H 3.5439 0.0029 -2.5137 H 1 UNL111111 0.1507 41 H 5.1951 0.2661 -1.9310 H 1 UNL111111 0.1518 42 H 3.9319 1.4513 -1.5810 H 1 UNL111111 0.1486 @BOND 1 40 19 1 2 41 19 1 3 36 17 1 4 19 42 1 5 19 11 1 6 25 14 1 7 34 17 1 8 1 2 1 9 17 35 1 10 17 10 1 11 27 14 1 12 14 26 1 13 14 9 1 14 22 11 1 15 11 8 1 16 11 18 1 17 24 13 1 18 8 13 ar 19 8 12 ar 20 13 6 ar 21 23 12 1 22 12 5 ar 23 4 2 2 24 6 7 ar 25 6 10 1 26 5 7 ar 27 5 9 1 28 7 2 1 29 10 21 1 30 10 16 1 31 2 3 2 32 9 20 1 33 9 15 1 34 31 16 1 35 38 18 1 36 18 37 1 37 18 39 1 38 16 32 1 39 16 33 1 40 28 15 1 41 15 29 1 42 15 30 1