@MOLECULE 72941865 23 24 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.2880 -0.9040 1.7800 Cl 1 noname -0.0660 2 Cl2 -1.2408 0.3296 -2.7463 Cl 1 noname -0.0660 3 Cl3 -2.7052 -3.2946 0.2219 Cl 1 noname -0.0695 4 Cl4 2.9152 3.2508 -1.1344 Cl 1 noname -0.0835 5 O1 -0.7291 -1.2082 -0.3136 O.3 1 noname -0.1845 6 C1 0.1167 -0.1734 -0.5041 C.2 1 noname 0.0654 7 C2 -1.7981 -0.7907 0.3974 C.2 1 noname 0.0336 8 C3 1.1232 0.0808 0.4202 C.2 1 noname 0.0401 9 C4 -0.0191 0.6380 -1.6245 C.2 1 noname 0.0401 10 C5 -2.8113 -1.6861 0.7195 C.2 1 noname 0.0211 11 C6 1.9941 1.1463 0.2241 C.2 1 noname 0.0146 12 C7 0.8517 1.7035 -1.8206 C.2 1 noname 0.0146 13 C8 -1.8855 0.5345 0.8074 C.2 1 noname -0.0147 14 C9 1.8583 1.9576 -0.8964 C.2 1 noname -0.0025 15 C10 -3.9119 -1.2563 1.4515 C.2 1 noname -0.0190 16 C11 -2.9861 0.9644 1.5395 C.2 1 noname -0.0493 17 C12 -3.9993 0.0690 1.8616 C.2 1 noname -0.0587 18 H1 2.7327 1.3327 0.9023 H 1 noname 0.0654 19 H2 0.7521 2.2989 -2.6428 H 1 noname 0.0654 20 H3 -1.1420 1.1916 0.5711 H 1 noname 0.0650 21 H4 -4.6554 -1.9134 1.6879 H 1 noname 0.0639 22 H5 -3.0503 1.9369 1.8404 H 1 noname 0.0623 23 H6 -4.8070 0.3844 2.3988 H 1 noname 0.0623 @BOND 1 1 8 1 2 2 9 1 3 3 10 1 4 4 14 1 5 5 6 1 6 5 7 1 7 6 8 2 8 6 9 1 9 7 10 1 10 7 13 2 11 8 11 1 12 9 12 2 13 10 15 2 14 11 14 2 15 11 18 1 16 12 14 1 17 12 19 1 18 13 16 1 19 13 20 1 20 15 17 1 21 15 21 1 22 16 17 2 23 16 22 1 24 17 23 1 @SUBSTRUCTURE 1 noname 1