@MOLECULE (r)-butaconazole 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 CL -0.7065 2.4185 1.2085 Cl 1 UNL1111111 -0.0486 2 CL 4.0097 0.4495 -0.4630 Cl 1 UNL1111111 -0.0122 3 CL -7.2426 -0.6395 0.0509 Cl 1 UNL1111111 -0.0901 4 S 1.4886 0.1385 1.4474 S.3 1 UNL1111111 0.0462 5 N 2.8841 -2.5288 0.2462 N.ar 1 UNL1111111 -0.2680 6 N 5.1186 -2.3937 0.3294 N.ar 1 UNL1111111 -0.3808 7 C 0.8394 -1.1405 0.2728 C.3 1 UNL1111111 -0.1773 8 C -0.6850 -1.2153 0.3528 C.3 1 UNL1111111 -0.2717 9 C 1.4854 -2.4918 0.6350 C.3 1 UNL1111111 -0.0897 10 C -1.3457 -0.5145 -0.8478 C.3 1 UNL1111111 -0.2809 11 C -2.8325 -0.5269 -0.6634 C.ar 1 UNL1111111 0.0127 12 C 1.6818 1.5155 0.3500 C.ar 1 UNL1111111 -0.1839 13 C 3.3455 -2.6902 -1.0614 C.ar 1 UNL1111111 -0.1567 14 C 3.9967 -2.3316 1.0647 C.ar 1 UNL1111111 0.0960 15 C -3.5443 -1.7142 -0.8640 C.ar 1 UNL1111111 -0.1600 16 C -3.5042 0.6319 -0.2672 C.ar 1 UNL1111111 -0.1492 17 C 4.7363 -2.6090 -0.9873 C.ar 1 UNL1111111 -0.0651 18 C -4.9190 -1.7550 -0.6489 C.ar 1 UNL1111111 -0.1646 19 C -4.8799 0.6059 -0.0450 C.ar 1 UNL1111111 -0.1602 20 C 0.7242 2.5240 0.2848 C.ar 1 UNL1111111 0.0605 21 C 2.8115 1.6533 -0.4535 C.ar 1 UNL1111111 0.0403 22 C -5.5557 -0.5916 -0.2353 C.ar 1 UNL1111111 0.0121 23 C 0.8769 3.6413 -0.5283 C.ar 1 UNL1111111 -0.2005 24 C 2.9990 2.7572 -1.2802 C.ar 1 UNL1111111 -0.1888 25 C 2.0258 3.7543 -1.3107 C.ar 1 UNL1111111 -0.0796 26 H 1.1576 -0.8595 -0.7603 H 1 UNL1111111 0.1690 27 H -1.0290 -2.2691 0.3899 H 1 UNL1111111 0.1479 28 H -1.0759 -0.7735 1.2943 H 1 UNL1111111 0.1750 29 H 0.9430 -3.3168 0.1067 H 1 UNL1111111 0.1601 30 H 1.3897 -2.7161 1.7246 H 1 UNL1111111 0.1659 31 H -0.9638 0.5204 -0.9524 H 1 UNL1111111 0.1541 32 H -1.0661 -1.0222 -1.7937 H 1 UNL1111111 0.1527 33 H 2.6978 -2.8482 -1.8935 H 1 UNL1111111 0.1717 34 H 3.9429 -2.1597 2.1254 H 1 UNL1111111 0.1914 35 H -3.0226 -2.6131 -1.1885 H 1 UNL1111111 0.1576 36 H -2.9569 1.5631 -0.1288 H 1 UNL1111111 0.1658 37 H 5.4686 -2.6900 -1.7662 H 1 UNL1111111 0.1778 38 H -5.4753 -2.6793 -0.8014 H 1 UNL1111111 0.1704 39 H -5.4037 1.5073 0.2721 H 1 UNL1111111 0.1721 40 H 0.1158 4.4224 -0.5578 H 1 UNL1111111 0.1800 41 H 3.8961 2.8465 -1.8964 H 1 UNL1111111 0.1838 42 H 2.1627 4.6277 -1.9510 H 1 UNL1111111 0.1647 @BOND 1 1 20 1 2 2 21 1 3 3 22 1 4 4 7 1 5 4 12 1 6 5 9 1 7 5 13 ar 8 5 14 ar 9 6 14 ar 10 6 17 ar 11 7 8 1 12 7 9 1 13 7 26 1 14 8 10 1 15 8 27 1 16 8 28 1 17 9 29 1 18 9 30 1 19 10 11 1 20 10 31 1 21 10 32 1 22 11 15 ar 23 11 16 ar 24 12 20 ar 25 12 21 ar 26 13 17 ar 27 13 33 1 28 14 34 1 29 15 18 ar 30 15 35 1 31 16 19 ar 32 16 36 1 33 17 37 1 34 18 22 ar 35 18 38 1 36 19 22 ar 37 19 39 1 38 20 23 ar 39 21 24 ar 40 23 25 ar 41 23 40 1 42 24 25 ar 43 24 41 1 44 25 42 1