@MOLECULE 56933411 42 43 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.9504 -5.4556 3.5626 Cl 1 noname -0.0787 2 Cl2 -2.6378 -5.1912 0.3589 Cl 1 noname -0.0787 3 Cl3 -2.7532 -4.1089 5.4887 Cl 1 noname -0.0807 4 F1 2.1751 1.4371 -2.5262 F 1 noname -0.2030 5 F2 0.0464 1.8746 -1.8169 F 1 noname -0.2030 6 O1 1.7030 -3.1094 1.4270 O.3 1 noname -0.3017 7 O2 0.4402 -1.7725 -1.5160 O.2 1 noname -0.2772 8 N1 1.1088 -3.0372 0.2474 N.3 1 noname 0.0273 9 N2 2.1269 0.9851 1.5885 N.3 1 noname 0.0171 10 N3 2.0364 1.5647 0.4539 N.2 1 noname -0.2577 11 C1 0.6289 -4.2935 -0.3472 C.3 1 noname 0.0453 12 C2 0.5021 -5.5004 0.6384 C.3 1 noname -0.0066 13 C3 1.4979 -4.8046 -1.5122 C.3 1 noname -0.0463 14 C4 -0.2852 -5.2175 1.8675 C.2 1 noname 0.0149 15 C5 0.9005 -1.7901 -0.3499 C.2 1 noname 0.0743 16 C6 1.2417 -0.5197 0.2244 C.2 1 noname 0.0634 17 C7 0.3297 -5.1173 3.1610 C.2 1 noname 0.0124 18 C8 -1.6925 -5.0053 1.7639 C.2 1 noname 0.0124 19 C9 1.4591 0.6995 -0.4025 C.2 1 noname 0.0806 20 C10 1.5885 -0.2392 1.5546 C.2 1 noname -0.0178 21 C11 -0.4328 -4.7059 4.2690 C.2 1 noname 0.0091 22 C12 -2.4218 -4.6100 2.8928 C.2 1 noname 0.0091 23 C13 1.1021 1.0004 -1.7958 C.3 1 noname 0.2823 24 C14 -1.8051 -4.4725 4.1388 C.2 1 noname 0.0077 25 C15 3.1308 -3.2076 1.4054 C.3 1 noname 0.0582 26 C16 2.7352 1.6150 2.7071 C.3 1 noname -0.0288 27 H1 -0.3615 -4.1251 -0.7687 H 1 noname 0.0498 28 H2 1.4969 -5.8487 0.9163 H 1 noname 0.0334 29 H3 -0.0054 -6.2703 0.0571 H 1 noname 0.0334 30 H4 1.0791 -5.7344 -1.8971 H 1 noname 0.0247 31 H5 2.5130 -4.9827 -1.1573 H 1 noname 0.0247 32 H6 1.5163 -4.0582 -2.3063 H 1 noname 0.0247 33 H7 1.5084 -0.8736 2.3434 H 1 noname 0.0817 34 H8 0.0053 -4.5930 5.1902 H 1 noname 0.0653 35 H9 -3.4244 -4.4281 2.8088 H 1 noname 0.0653 36 H10 0.6963 0.0881 -2.2330 H 1 noname 0.1108 37 H11 3.5069 -3.2606 2.4271 H 1 noname 0.0551 38 H12 3.5478 -2.3309 0.9098 H 1 noname 0.0551 39 H13 3.4250 -4.1060 0.8629 H 1 noname 0.0551 40 H14 3.5843 1.0194 3.0422 H 1 noname 0.0453 41 H15 2.0091 1.6998 3.5156 H 1 noname 0.0453 42 H16 3.0789 2.6093 2.4217 H 1 noname 0.0453 @BOND 1 1 17 1 2 2 18 1 3 3 24 1 4 4 23 1 5 5 23 1 6 6 8 1 7 6 25 1 8 7 15 2 9 8 11 1 10 8 15 1 11 9 10 1 12 9 20 1 13 9 26 1 14 10 19 2 15 11 12 1 16 11 13 1 17 11 27 1 18 12 14 1 19 12 28 1 20 12 29 1 21 13 30 1 22 13 31 1 23 13 32 1 24 14 17 2 25 14 18 1 26 15 16 1 27 16 19 1 28 16 20 2 29 17 21 1 30 18 22 2 31 19 23 1 32 20 33 1 33 21 24 2 34 21 34 1 35 22 24 1 36 22 35 1 37 23 36 1 38 25 37 1 39 25 38 1 40 25 39 1 41 26 40 1 42 26 41 1 43 26 42 1 @SUBSTRUCTURE 1 noname 1