@MOLECULE 72941883 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 -0.0694 4 Cl4 2.9152 3.2508 -1.1344 Cl 1 noname -0.0835 5 Cl5 -3.0922 2.5728 2.0371 Cl 1 noname -0.0822 6 O1 -0.7291 -1.2082 -0.3136 O.3 1 noname -0.1833 7 C1 0.1167 -0.1734 -0.5041 C.2 1 noname 0.0654 8 C2 -1.7981 -0.7907 0.3974 C.2 1 noname 0.0439 9 C3 1.1232 0.0808 0.4202 C.2 1 noname 0.0401 10 C4 -0.0191 0.6380 -1.6245 C.2 1 noname 0.0401 11 C5 -2.8113 -1.6861 0.7195 C.2 1 noname 0.0246 12 C6 -1.8855 0.5345 0.8074 C.2 1 noname 0.0186 13 C7 1.9941 1.1463 0.2241 C.2 1 noname 0.0146 14 C8 0.8517 1.7035 -1.8206 C.2 1 noname 0.0146 15 C9 1.8583 1.9576 -0.8964 C.2 1 noname -0.0025 16 C10 -2.9861 0.9644 1.5395 C.2 1 noname -0.0007 17 C11 -3.9119 -1.2563 1.4515 C.2 1 noname -0.0086 18 C12 -3.9993 0.0690 1.8616 C.2 1 noname -0.0248 19 H1 -1.1420 1.1916 0.5711 H 1 noname 0.0666 20 H2 2.7327 1.3327 0.9023 H 1 noname 0.0654 21 H3 0.7521 2.2989 -2.6428 H 1 noname 0.0654 22 H4 -4.6554 -1.9134 1.6879 H 1 noname 0.0639 23 H5 -4.8070 0.3844 2.3988 H 1 noname 0.0638 @BOND 1 1 9 1 2 2 10 1 3 3 11 1 4 4 15 1 5 5 16 1 6 6 7 1 7 6 8 1 8 7 9 2 9 7 10 1 10 8 11 2 11 8 12 1 12 9 13 1 13 10 14 2 14 11 17 1 15 12 16 2 16 12 19 1 17 13 15 2 18 13 20 1 19 14 15 1 20 14 21 1 21 16 18 1 22 17 18 2 23 17 22 1 24 18 23 1 @SUBSTRUCTURE 1 noname 1