@MOLECULE tritosulfuron 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.0171 -0.3102 1.6796 S.O2 1 UNL111111111 2.3688 2 F 3.8474 -1.7288 -2.5316 F 1 UNL111111111 -0.2066 3 F 4.7860 -1.9319 -0.6634 F 1 UNL111111111 -0.1570 4 F 2.6674 -2.0621 -0.8402 F 1 UNL111111111 -0.1959 5 F -5.2510 -2.5158 -0.3232 F 1 UNL111111111 -0.1575 6 F -6.4211 -1.0465 0.6545 F 1 UNL111111111 -0.1637 7 F -6.1542 -0.9785 -1.4530 F 1 UNL111111111 -0.1568 8 O 3.0726 0.5398 2.8319 O.2 1 UNL111111111 -0.8457 9 O 3.7592 -1.5340 1.6016 O.2 1 UNL111111111 -0.8529 10 O 0.4948 1.1225 0.8376 O.2 1 UNL111111111 -0.4641 11 O -3.4749 3.0434 -0.4211 O.3 1 UNL111111111 -0.1998 12 N 1.3473 -0.8867 1.5003 N.am 1 UNL111111111 -0.8944 13 N -0.9287 -0.7077 0.9406 N.am 1 UNL111111111 -0.5427 14 N -3.1615 -0.9134 0.3270 N.ar 1 UNL111111111 -0.5505 15 N -2.1197 1.2607 0.2657 N.ar 1 UNL111111111 -0.5715 16 N -4.4409 0.9890 -0.3737 N.ar 1 UNL111111111 -0.4885 17 C 3.2678 0.6506 0.2273 C.ar 1 UNL111111111 -0.3603 18 C 3.6138 0.1187 -1.0192 C.ar 1 UNL111111111 -0.0479 19 C 3.0981 2.0270 0.3657 C.ar 1 UNL111111111 -0.0368 20 C 3.8340 0.9687 -2.0999 C.ar 1 UNL111111111 -0.1329 21 C 3.7335 -1.3739 -1.2495 C.3 1 UNL111111111 0.5281 22 C 3.2981 2.8779 -0.7238 C.ar 1 UNL111111111 -0.1460 23 C 3.6753 2.3494 -1.9512 C.ar 1 UNL111111111 -0.1026 24 C 0.3246 -0.0445 1.0827 C.2 1 UNL111111111 0.7419 25 C -2.0743 -0.0774 0.5006 C.ar 1 UNL111111111 0.5799 26 C -4.2894 -0.3235 -0.1087 C.ar 1 UNL111111111 0.3269 27 C -3.3166 1.7464 -0.1656 C.ar 1 UNL111111111 0.5451 28 C -5.5222 -1.2162 -0.3096 C.3 1 UNL111111111 0.5380 29 C -2.3159 3.8682 -0.2005 C.3 1 UNL111111111 -0.1978 30 H 2.7891 2.4682 1.3260 H 1 UNL111111111 0.1905 31 H 4.1273 0.5883 -3.0806 H 1 UNL111111111 0.1731 32 H 1.1711 -1.8689 1.6982 H 1 UNL111111111 0.3394 33 H 3.1508 3.9510 -0.6065 H 1 UNL111111111 0.1594 34 H 3.8417 3.0059 -2.8055 H 1 UNL111111111 0.1561 35 H -1.0135 -1.7144 1.1218 H 1 UNL111111111 0.3483 36 H -1.4968 3.5712 -0.8652 H 1 UNL111111111 0.1563 37 H -1.9887 3.8128 0.8444 H 1 UNL111111111 0.1601 38 H -2.7125 4.8599 -0.4539 H 1 UNL111111111 0.1598 @BOND 1 1 8 2 2 1 9 2 3 1 12 1 4 1 17 1 5 2 21 1 6 3 21 1 7 4 21 1 8 5 28 1 9 6 28 1 10 7 28 1 11 10 24 2 12 11 27 1 13 11 29 1 14 12 24 am 15 12 32 1 16 13 24 am 17 13 25 1 18 13 35 1 19 14 25 ar 20 14 26 ar 21 15 25 ar 22 15 27 ar 23 16 26 ar 24 16 27 ar 25 17 18 ar 26 17 19 ar 27 18 20 ar 28 18 21 1 29 19 22 ar 30 19 30 1 31 20 23 ar 32 20 31 1 33 22 23 ar 34 22 33 1 35 23 34 1 36 26 28 1 37 29 36 1 38 29 37 1 39 29 38 1