@MOLECULE 1-[(1R)-1-methylbutyl]sulfanylpentane 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.9171 0.2013 0.3533 C.3 1 UNL11111111 -0.4394 2 C 4.6012 0.6965 -0.2466 C.3 1 UNL11111111 -0.2491 3 C 3.4107 -0.0743 0.3395 C.3 1 UNL11111111 -0.2716 4 C 2.0953 0.3926 -0.3033 C.3 1 UNL11111111 -0.2656 5 C 0.9225 -0.3818 0.2914 C.3 1 UNL11111111 -0.3059 6 S -0.6157 0.1040 -0.5972 S.3 1 UNL11111111 -0.1001 7 C -1.9159 -0.8641 0.3094 C.3 1 UNL11111111 -0.1121 8 H -1.7669 -0.6989 1.4008 H 1 UNL11111111 0.1445 9 C -1.7996 -2.3502 -0.0061 C.3 1 UNL11111111 -0.4572 10 C -3.2843 -0.3248 -0.1159 C.3 1 UNL11111111 -0.2815 11 C -3.6063 1.0330 0.5241 C.3 1 UNL11111111 -0.2508 12 C -5.0135 1.4859 0.1318 C.3 1 UNL11111111 -0.4391 13 H 5.9313 0.3197 1.4426 H 1 UNL11111111 0.1422 14 H 6.0823 -0.8597 0.1350 H 1 UNL11111111 0.1423 15 H 6.7712 0.7570 -0.0491 H 1 UNL11111111 0.1405 16 H 4.4812 1.7795 -0.0556 H 1 UNL11111111 0.1349 17 H 4.6228 0.5838 -1.3474 H 1 UNL11111111 0.1356 18 H 3.5481 -1.1597 0.1782 H 1 UNL11111111 0.1374 19 H 3.3722 0.0685 1.4351 H 1 UNL11111111 0.1369 20 H 1.9695 1.4829 -0.1464 H 1 UNL11111111 0.1489 21 H 2.1521 0.2493 -1.4016 H 1 UNL11111111 0.1499 22 H 1.0783 -1.4702 0.1898 H 1 UNL11111111 0.1499 23 H 0.8160 -0.1675 1.3689 H 1 UNL11111111 0.1492 24 H -1.9230 -2.5574 -1.0779 H 1 UNL11111111 0.1595 25 H -0.8336 -2.7709 0.2972 H 1 UNL11111111 0.1473 26 H -2.5723 -2.9259 0.5214 H 1 UNL11111111 0.1489 27 H -3.3623 -0.2518 -1.2191 H 1 UNL11111111 0.1520 28 H -4.0679 -1.0564 0.1731 H 1 UNL11111111 0.1444 29 H -3.5228 0.9668 1.6251 H 1 UNL11111111 0.1326 30 H -2.8678 1.7972 0.2121 H 1 UNL11111111 0.1500 31 H -5.2484 2.4644 0.5648 H 1 UNL11111111 0.1413 32 H -5.1173 1.5756 -0.9556 H 1 UNL11111111 0.1441 33 H -5.7750 0.7793 0.4793 H 1 UNL11111111 0.1401 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 9 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1