@MOLECULE FDBD00358 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 1.7543 -1.4304 -2.6861 Cl 1 UNK -0.0828 2 Cl1 2.4437 -1.2622 2.7499 Cl 1 UNK -0.0828 3 S -1.3230 0.8795 -1.5973 S.3 1 UNK -0.1275 4 O -1.7573 0.3238 2.7519 O.2 1 UNK -0.2734 5 O1 -5.3728 -1.0327 -0.0333 O.co2 1 UNK -0.5478 6 O2 -5.1784 0.9148 1.1351 O.co2 1 UNK -0.5478 7 O3 1.4968 2.8642 -0.5342 O.2 1 UNK -0.2700 8 O4 4.9796 0.4906 -0.3907 O.2 1 UNK -0.3586 9 N -2.5706 1.0770 0.6683 N.am 1 UNK -0.2761 10 N1 0.6038 1.1885 0.7731 N.am 1 UNK -0.2976 11 N2 4.3114 -0.7215 -0.2674 N.ar 1 UNK -0.0772 12 C -1.6840 1.9220 -0.1372 C.3 1 UNK 0.1003 13 C1 -2.9993 0.0752 -1.4856 C.3 1 UNK 0.0366 14 C2 -3.2508 -0.0338 0.0338 C.3 1 UNK 0.0807 15 C3 -0.6794 1.8605 1.0216 C.3 1 UNK 0.1279 16 C4 -1.7225 0.9759 1.7330 C.2 1 UNK 0.2401 17 C5 -4.0007 0.9650 -2.2347 C.3 1 UNK -0.0486 18 C6 -2.9330 -1.3056 -2.1405 C.3 1 UNK -0.0486 19 C7 -4.6855 0.0306 0.4506 C.2 1 UNK 0.0635 20 C8 1.6177 1.7591 -0.0062 C.2 1 UNK 0.2502 21 C9 2.8548 0.9778 -0.1375 C.ar 1 UNK 0.1061 22 C10 3.0253 -0.3934 -0.1153 C.ar 1 UNK 0.1285 23 C11 4.0831 1.5068 -0.3097 C.ar 1 UNK 0.1469 24 C12 2.0280 -1.4193 0.0432 C.ar 1 UNK 0.0410 25 C13 4.6296 2.8661 -0.4225 C.3 1 UNK -0.0029 26 C14 1.3910 -1.9574 -1.0776 C.ar 1 UNK 0.0517 27 C15 1.6931 -1.8816 1.3182 C.ar 1 UNK 0.0517 28 C16 0.4251 -2.9519 -0.9243 C.ar 1 UNK -0.0427 29 C17 0.7271 -2.8761 1.4714 C.ar 1 UNK -0.0427 30 C18 0.0930 -3.4113 0.3501 C.ar 1 UNK -0.0590 31 H 0.7568 0.3010 1.1707 H 1 UNK 0.1499 32 H1 -1.8852 2.8884 -0.5500 H 1 UNK 0.0640 33 H2 -2.8924 -0.9985 0.3269 H 1 UNK 0.0576 34 H3 -0.2661 2.7548 1.4391 H 1 UNK 0.0622 35 H4 -4.0399 1.9278 -1.7695 H 1 UNK 0.0244 36 H5 -4.9707 0.5143 -2.2041 H 1 UNK 0.0244 37 H6 -3.6896 1.0732 -3.2528 H 1 UNK 0.0244 38 H7 -2.2329 -1.9180 -1.6116 H 1 UNK 0.0244 39 H8 -2.6194 -1.2029 -3.1583 H 1 UNK 0.0244 40 H9 -3.9004 -1.7618 -2.1097 H 1 UNK 0.0244 41 H10 5.6901 2.8143 -0.5548 H 1 UNK 0.0309 42 H11 4.4078 3.4148 0.4689 H 1 UNK 0.0309 43 H12 4.1889 3.3590 -1.2637 H 1 UNK 0.0309 44 H13 -0.0439 -3.3479 -1.7539 H 1 UNK 0.0632 45 H14 0.4815 -3.2160 2.4144 H 1 UNK 0.0632 46 H15 -0.6217 -4.1471 0.4634 H 1 UNK 0.0618 @BOND 1 1 26 1 2 2 27 1 3 3 12 1 4 3 13 1 5 4 16 2 6 5 19 ar 7 6 19 ar 8 7 20 2 9 8 11 ar 10 8 23 ar 11 9 12 1 12 9 14 1 13 9 16 am 14 10 15 1 15 10 20 am 16 11 22 ar 17 12 15 1 18 13 14 1 19 13 17 1 20 13 18 1 21 14 19 1 22 15 16 1 23 20 21 1 24 21 22 ar 25 21 23 ar 26 22 24 1 27 23 25 1 28 24 26 ar 29 24 27 ar 30 26 28 ar 31 27 29 ar 32 28 30 ar 33 29 30 ar 34 10 31 1 35 12 32 1 36 14 33 1 37 15 34 1 38 17 35 1 39 17 36 1 40 17 37 1 41 18 38 1 42 18 39 1 43 18 40 1 44 25 41 1 45 25 42 1 46 25 43 1 47 28 44 1 48 29 45 1 49 30 46 1