@MOLECULE 59397418 30 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.1518 3.2239 1.5571 Cl 1 noname -0.0796 2 Cl2 -1.1704 5.7643 -2.7449 Cl 1 noname -0.0826 3 S1 -2.6738 -0.2146 0.1844 S.3 1 noname -0.0829 4 S2 -5.2458 -1.3165 -0.2454 S.3 1 noname -0.0875 5 N1 -4.3021 -3.3207 2.1228 N.3 1 noname -0.0235 6 N2 -6.1568 -4.0289 3.1520 N.2 1 noname -0.2386 7 N3 -1.1357 -2.7168 2.0761 N.1 1 noname -0.1736 8 C1 -3.9632 1.0417 -0.2613 C.3 1 noname 0.0459 9 C2 -5.0884 0.3180 -1.0445 C.3 1 noname 0.0151 10 C3 -3.3304 2.2112 -0.9395 C.2 1 noname -0.0117 11 C4 -3.7364 -1.5233 0.5903 C.2 1 noname 0.0300 12 C5 -2.8761 3.2913 -0.1059 C.2 1 noname 0.0059 13 C6 -3.1112 2.2862 -2.3646 C.2 1 noname -0.0325 14 C7 -3.4626 -2.4791 1.4956 C.2 1 noname 0.0059 15 C8 -2.1955 4.4209 -0.6577 C.2 1 noname 0.0079 16 C9 -2.4372 3.4042 -2.9457 C.2 1 noname -0.0222 17 C10 -1.9850 4.4481 -2.0742 C.2 1 noname -0.0021 18 C11 -3.9411 -4.3345 2.9148 C.2 1 noname -0.0593 19 C12 -5.6399 -3.1810 2.2565 C.2 1 noname -0.0372 20 C13 -2.2441 -2.6036 1.7996 C.1 1 noname 0.0816 21 C14 -5.1092 -4.7547 3.5722 C.2 1 noname 0.0119 22 H1 -4.4597 1.3476 0.6737 H 1 noname 0.0479 23 H2 -6.0220 0.8691 -0.9316 H 1 noname 0.0399 24 H3 -4.7727 0.1811 -2.0787 H 1 noname 0.0399 25 H4 -3.4420 1.5308 -2.9648 H 1 noname 0.0626 26 H5 -1.8705 5.1826 -0.0621 H 1 noname 0.0653 27 H6 -2.2823 3.4578 -3.9524 H 1 noname 0.0638 28 H7 -3.0048 -4.7251 3.0207 H 1 noname 0.0812 29 H8 -6.1938 -2.5038 1.7322 H 1 noname 0.1019 30 H9 -5.1545 -5.5009 4.2662 H 1 noname 0.0853 @BOND 1 1 12 1 2 2 17 1 3 3 8 1 4 3 11 1 5 4 9 1 6 4 11 1 7 5 14 1 8 5 18 1 9 5 19 1 10 6 19 2 11 6 21 1 12 7 20 3 13 8 9 1 14 8 10 1 15 8 22 1 16 9 23 1 17 9 24 1 18 10 12 2 19 10 13 1 20 11 14 2 21 12 15 1 22 13 16 2 23 13 25 1 24 14 20 1 25 15 17 2 26 15 26 1 27 16 17 1 28 16 27 1 29 18 21 2 30 18 28 1 31 19 29 1 32 21 30 1 @SUBSTRUCTURE 1 noname 1