@MOLECULE 72941767 23 24 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.2880 -0.9040 1.7800 Cl 1 noname -0.0574 2 Cl2 -1.2408 0.3296 -2.7463 Cl 1 noname -0.0681 3 Cl3 3.2157 1.4547 1.3458 Cl 1 noname -0.0715 4 Cl4 -5.3352 0.5907 2.7500 Cl 1 noname -0.0871 5 O1 -0.7291 -1.2082 -0.3136 O.3 1 noname -0.1901 6 C1 0.1167 -0.1734 -0.5041 C.2 1 noname 0.0699 7 C2 -1.7981 -0.7907 0.3974 C.2 1 noname 0.0085 8 C3 1.1232 0.0808 0.4202 C.2 1 noname 0.0585 9 C4 -0.0191 0.6380 -1.6245 C.2 1 noname 0.0298 10 C5 -2.8113 -1.6861 0.7195 C.2 1 noname -0.0123 11 C6 -1.8855 0.5345 0.8074 C.2 1 noname -0.0123 12 C7 1.9941 1.1463 0.2241 C.2 1 noname 0.0263 13 C8 0.8517 1.7035 -1.8206 C.2 1 noname -0.0106 14 C9 1.8583 1.9576 -0.8964 C.2 1 noname -0.0194 15 C10 -3.9119 -1.2563 1.4515 C.2 1 noname -0.0152 16 C11 -2.9861 0.9644 1.5395 C.2 1 noname -0.0152 17 C12 -3.9993 0.0690 1.8616 C.2 1 noname -0.0191 18 H1 -2.7471 -2.6586 0.4186 H 1 noname 0.0650 19 H2 -1.1420 1.1916 0.5711 H 1 noname 0.0650 20 H3 0.7521 2.2989 -2.6428 H 1 noname 0.0639 21 H4 2.4973 2.7395 -1.0403 H 1 noname 0.0639 22 H5 -4.6554 -1.9134 1.6879 H 1 noname 0.0639 23 H6 -3.0503 1.9369 1.8404 H 1 noname 0.0639 @BOND 1 1 8 1 2 2 9 1 3 3 12 1 4 4 17 1 5 5 6 1 6 5 7 1 7 6 8 1 8 6 9 2 9 7 10 2 10 7 11 1 11 8 12 2 12 9 13 1 13 10 15 1 14 10 18 1 15 11 16 2 16 11 19 1 17 12 14 1 18 13 14 2 19 13 20 1 20 14 21 1 21 15 17 2 22 15 22 1 23 16 17 1 24 16 23 1 @SUBSTRUCTURE 1 noname 1