@MOLECULE DB04643 43 44 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.7092 -1.0911 1.7814 Cl 1 noname -0.0723 2 C1 0.3605 -0.1639 0.4159 C.2 1 noname 0.0209 3 C2 1.2009 -0.2124 -0.6903 C.2 1 noname -0.0021 4 C3 -0.7671 0.6487 0.3969 C.2 1 noname 0.0087 5 N1 2.2879 -0.9957 -0.6720 N.3 1 noname -0.1272 6 C4 0.9136 0.5516 -1.8154 C.2 1 noname -0.0162 7 C5 -1.0543 1.4127 -0.7282 C.2 1 noname 0.0091 8 C6 2.9126 -1.2480 0.4864 C.2 1 noname 0.0795 9 C7 -0.2140 1.3641 -1.8343 C.2 1 noname -0.0208 10 O1 -2.1495 2.2018 -0.7466 O.3 1 noname -0.2744 11 O2 2.4812 -0.7526 1.5499 O.2 1 noname -0.2671 12 N2 3.9996 -2.0313 0.5047 N.3 1 noname 0.0896 13 C8 -1.8136 3.4893 -0.2505 C.3 1 noname 0.0539 14 C9 4.6243 -2.2836 1.6630 C.2 1 noname 0.0616 15 C10 -3.0548 4.3837 -0.2714 C.3 1 noname -0.0197 16 O3 4.1929 -1.7882 2.7265 O.2 1 noname -0.2867 17 C11 5.7519 -3.0961 1.6820 C.2 1 noname 0.0216 18 C12 -2.6929 5.7708 0.2631 C.3 1 noname 0.0356 19 C13 6.3999 -3.3578 2.8835 C.2 1 noname 0.0384 20 C14 6.2316 -3.6470 0.4994 C.2 1 noname 0.0026 21 C15 -3.8773 6.6243 0.2432 C.2 1 noname 0.1348 22 Cl2 5.8177 -2.6892 4.3188 Cl 1 noname -0.0705 23 C16 7.5275 -4.1703 2.9025 C.2 1 noname 0.0173 24 C17 7.3592 -4.4595 0.5183 C.2 1 noname -0.0126 25 O4 -3.8022 7.8069 0.6410 O.2 1 noname -0.2559 26 O5 -5.0535 6.1362 -0.2049 O.3 1 noname -0.2189 27 C18 8.0071 -4.7212 1.7199 C.2 1 noname 0.0125 28 Cl3 9.3757 -5.7073 1.7429 Cl 1 noname -0.0789 29 H1 -1.4261 0.6867 1.2643 H 1 noname 0.0666 30 H2 2.6365 -1.3960 -1.5313 H 1 noname 0.1385 31 H3 1.5726 0.5135 -2.6828 H 1 noname 0.0640 32 H4 -0.4393 1.9632 -2.7166 H 1 noname 0.0650 33 H5 4.3482 -2.4316 -0.3547 H 1 noname 0.1418 34 H6 -1.5265 3.3343 0.7895 H 1 noname 0.0572 35 H7 -1.0928 3.8954 -0.9602 H 1 noname 0.0572 36 H8 -3.3325 4.5122 -1.3176 H 1 noname 0.0295 37 H9 -3.7662 3.9511 0.4321 H 1 noname 0.0295 38 H10 -2.4218 5.6587 1.3129 H 1 noname 0.0373 39 H11 -1.9881 6.2197 -0.4368 H 1 noname 0.0373 40 H12 5.7234 -3.4418 -0.4429 H 1 noname 0.0631 41 H13 8.0356 -4.3755 3.8448 H 1 noname 0.0654 42 H14 7.7353 -4.8915 -0.4090 H 1 noname 0.0638 43 H15 -5.6098 5.9054 0.5427 H 1 noname 0.2213 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 1 14 12 14 1 15 13 15 1 16 14 16 2 17 14 17 1 18 15 18 1 19 17 19 2 20 17 20 1 21 18 21 1 22 19 22 1 23 19 23 1 24 20 24 2 25 21 25 2 26 21 26 1 27 23 27 2 28 24 27 1 29 27 28 1 30 4 29 1 31 5 30 1 32 6 31 1 33 9 32 1 34 12 33 1 35 13 34 1 36 13 35 1 37 15 36 1 38 15 37 1 39 18 38 1 40 18 39 1 41 20 40 1 42 23 41 1 43 24 42 1 44 26 43 1 @SUBSTRUCTURE 1 noname 1