@MOLECULE 76958410 16 16 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.3268 0.2905 -3.2207 Cl 1 noname -0.0589 2 Cl2 -2.5031 0.7471 0.7016 Cl 1 noname -0.0404 3 O1 2.4218 -1.0849 0.8251 O.3 1 noname -0.2095 4 O2 2.8166 -1.5747 -1.3375 O.2 1 noname -0.2461 5 N1 -0.0820 -0.0889 -0.0641 N.2 1 noname -0.2062 6 N2 -0.1720 1.8015 -3.7123 N.3 1 noname -0.1405 7 C1 -0.1427 1.1852 -2.5228 C.2 1 noname 0.0365 8 C2 1.0143 0.4216 -2.1689 C.2 1 noname 0.0505 9 C3 1.0219 -0.2292 -0.8893 C.2 1 noname 0.0829 10 C4 -1.2695 1.3133 -1.6505 C.2 1 noname 0.0190 11 C5 -1.2141 0.6438 -0.3818 C.2 1 noname 0.0527 12 C6 2.1159 -0.9859 -0.4861 C.2 1 noname 0.1227 13 H1 -2.0854 1.8623 -1.9211 H 1 noname 0.0672 14 H2 -1.0126 2.2756 -3.8101 H 1 noname 0.1243 15 H3 -0.0879 1.1432 -4.4197 H 1 noname 0.1243 16 H4 3.3533 -1.2093 1.1029 H 1 noname 0.2217 @BOND 1 1 8 1 2 2 11 1 3 3 12 1 4 3 16 1 5 4 12 2 6 5 9 1 7 5 11 2 8 6 7 1 9 6 14 1 10 6 15 1 11 7 8 1 12 7 10 2 13 8 9 2 14 9 12 1 15 10 11 1 16 10 13 1 @SUBSTRUCTURE 1 noname 1