@MOLECULE herbacic acid 43 42 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.6295 -0.6600 -0.6717 Cl 1 UNL1111111111 -0.1267 2 CL 0.7852 -2.8581 1.0972 Cl 1 UNL1111111111 -0.0833 3 CL 2.2288 -2.9073 -1.3731 Cl 1 UNL1111111111 -0.0876 4 CL -5.1931 1.6722 -0.3737 Cl 1 UNL1111111111 -0.0924 5 CL -4.7682 -0.9830 -1.3312 Cl 1 UNL1111111111 -0.0814 6 CL -4.7750 -0.4713 1.4653 Cl 1 UNL1111111111 -0.0930 7 O 5.8558 1.9732 0.3314 O.3 1 UNL1111111111 -0.5551 8 O 4.7508 2.4464 -1.5455 O.2 1 UNL1111111111 -0.4935 9 O 1.7931 1.3232 2.1626 O.2 1 UNL1111111111 -0.5554 10 N 2.3712 1.8203 0.0463 N.am 1 UNL1111111111 -0.4912 11 C 3.7006 -0.2956 -0.2586 C.3 1 UNL1111111111 -0.3141 12 C 2.9284 -1.2481 0.6762 C.3 1 UNL1111111111 -0.1383 13 C 3.6575 1.1609 0.2594 C.3 1 UNL1111111111 0.0214 14 C 1.7408 -1.8836 -0.0228 C.3 1 UNL1111111111 0.1596 15 C 3.8675 -2.3214 1.2320 C.3 1 UNL1111111111 -0.4495 16 C 4.7536 1.9419 -0.4566 C.2 1 UNL1111111111 0.6132 17 C -2.7800 0.4228 -0.1340 C.3 1 UNL1111111111 -0.1157 18 C 1.4368 1.7408 1.0737 C.2 1 UNL1111111111 0.5998 19 C -2.3739 1.5246 0.8727 C.3 1 UNL1111111111 -0.3045 20 C 2.0007 2.1665 -1.3288 C.3 1 UNL1111111111 -0.2262 21 C 0.0410 2.1332 0.7869 C.2 1 UNL1111111111 -0.2989 22 C -0.9355 1.3262 1.2151 C.2 1 UNL1111111111 -0.0321 23 C -4.2800 0.1860 -0.1023 C.3 1 UNL1111111111 0.1432 24 C -2.3148 0.7983 -1.5430 C.3 1 UNL1111111111 -0.4492 25 H 4.7604 -0.6220 -0.3349 H 1 UNL1111111111 0.1727 26 H 3.3288 -0.3389 -1.3009 H 1 UNL1111111111 0.1690 27 H 2.5365 -0.6569 1.5625 H 1 UNL1111111111 0.2129 28 H 3.8823 1.1691 1.3757 H 1 UNL1111111111 0.2168 29 H 3.3641 -2.9982 1.9346 H 1 UNL1111111111 0.1650 30 H 4.6924 -1.8577 1.7930 H 1 UNL1111111111 0.1660 31 H 4.3189 -2.9401 0.4469 H 1 UNL1111111111 0.1616 32 H -2.2683 -0.5395 0.1608 H 1 UNL1111111111 0.1843 33 H -2.9854 1.4862 1.8001 H 1 UNL1111111111 0.1743 34 H -2.5671 2.5304 0.4454 H 1 UNL1111111111 0.1680 35 H 2.5017 1.5143 -2.0676 H 1 UNL1111111111 0.1596 36 H 0.9168 2.0878 -1.5053 H 1 UNL1111111111 0.1467 37 H 2.3190 3.2065 -1.5425 H 1 UNL1111111111 0.1621 38 H -0.7202 0.4375 1.8212 H 1 UNL1111111111 0.1679 39 H -0.1201 3.0559 0.2399 H 1 UNL1111111111 0.1768 40 H -2.9608 1.5445 -2.0216 H 1 UNL1111111111 0.1617 41 H -1.3047 1.2293 -1.5235 H 1 UNL1111111111 0.1607 42 H -2.2709 -0.0740 -2.2093 H 1 UNL1111111111 0.1655 43 H 6.6188 2.4655 -0.0633 H 1 UNL1111111111 0.3592 @BOND 1 1 14 1 2 2 14 1 3 3 14 1 4 4 23 1 5 5 23 1 6 6 23 1 7 7 16 1 8 7 43 1 9 8 16 2 10 9 18 2 11 10 13 1 12 10 18 am 13 10 20 1 14 11 12 1 15 11 13 1 16 11 25 1 17 11 26 1 18 12 14 1 19 12 15 1 20 12 27 1 21 13 16 1 22 13 28 1 23 15 29 1 24 15 30 1 25 15 31 1 26 17 19 1 27 17 23 1 28 17 24 1 29 17 32 1 30 18 21 1 31 19 22 1 32 19 33 1 33 19 34 1 34 20 35 1 35 20 36 1 36 20 37 1 37 21 22 2 38 21 39 1 39 22 38 1 40 24 40 1 41 24 41 1 42 24 42 1