@MOLECULE 90478870 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.0322 3.1455 -1.0139 Cl 1 noname -0.0845 2 O1 -0.5716 -2.1269 0.3900 O.3 1 noname -0.3778 3 O2 0.1225 -2.4399 -2.3204 O.3 1 noname -0.3925 4 C1 -0.9899 -1.1871 -0.5888 C.3 1 noname 0.1377 5 C2 0.0009 -0.1198 -0.6935 C.2 1 noname -0.0341 6 C3 -2.2774 -0.6194 -0.1994 C.2 1 noname -0.0382 7 C4 -1.1297 -1.8877 -1.9417 C.3 1 noname 0.0805 8 C5 0.7570 0.2379 0.4166 C.2 1 noname -0.0358 9 C6 0.1880 0.5385 -1.9033 C.2 1 noname -0.0358 10 C7 -2.3983 0.0701 1.0015 C.2 1 noname -0.0463 11 C8 -3.3823 -0.7683 -1.0295 C.2 1 noname -0.0463 12 C9 1.7003 1.2540 0.3169 C.2 1 noname -0.0229 13 C10 1.1312 1.5546 -2.0030 C.2 1 noname -0.0229 14 C11 -3.6241 0.6106 1.3722 C.2 1 noname -0.0576 15 C12 -4.6081 -0.2278 -0.6588 C.2 1 noname -0.0576 16 C13 1.8874 1.9123 -0.8929 C.2 1 noname -0.0118 17 C14 -4.7290 0.4616 0.5421 C.2 1 noname -0.0609 18 H1 -1.8694 -2.6845 -1.8635 H 1 noname 0.0601 19 H2 -1.4508 -1.1663 -2.6930 H 1 noname 0.0601 20 H3 0.6197 -0.2452 1.3044 H 1 noname 0.0627 21 H4 -0.3669 0.2760 -2.7179 H 1 noname 0.0627 22 H5 -1.5876 0.1794 1.6107 H 1 noname 0.0626 23 H6 -3.2936 -1.2743 -1.9108 H 1 noname 0.0626 24 H7 -1.2366 -2.8433 0.4603 H 1 noname 0.2119 25 H8 2.2552 1.5165 1.1316 H 1 noname 0.0638 26 H9 1.2685 2.0377 -2.8908 H 1 noname 0.0638 27 H10 -3.7129 1.1165 2.2534 H 1 noname 0.0622 28 H11 -5.4188 -0.3372 -1.2680 H 1 noname 0.0622 29 H12 -5.6285 0.8582 0.8141 H 1 noname 0.0622 30 H13 0.0330 -2.8887 -3.1870 H 1 noname 0.2101 @BOND 1 1 16 1 2 4 2 1 3 2 24 1 4 3 7 1 5 3 30 1 6 4 5 1 7 4 6 1 8 4 7 1 9 5 8 2 10 5 9 1 11 6 10 2 12 6 11 1 13 7 18 1 14 7 19 1 15 8 12 1 16 8 20 1 17 9 13 2 18 9 21 1 19 10 14 1 20 10 22 1 21 11 15 2 22 11 23 1 23 12 16 2 24 12 25 1 25 13 16 1 26 13 26 1 27 14 17 2 28 14 27 1 29 15 17 1 30 15 28 1 31 17 29 1 @SUBSTRUCTURE 1 noname 1