@MOLECULE 72941906 23 24 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.2880 -0.9040 1.7800 Cl 1 noname -0.0564 2 Cl2 -1.2408 0.3296 -2.7463 Cl 1 noname -0.0564 3 Cl3 0.6869 2.6882 -3.1805 Cl 1 noname -0.0599 4 Cl4 3.2157 1.4547 1.3458 Cl 1 noname -0.0599 5 Cl5 2.9152 3.2508 -1.1344 Cl 1 noname -0.0623 6 Cl6 -2.7052 -3.2946 0.2219 Cl 1 noname -0.0574 7 Cl7 -0.6558 1.6213 0.4166 Cl 1 noname -0.0680 8 Cl8 -5.1416 -2.3430 1.8424 Cl 1 noname -0.0715 9 O1 -0.7291 -1.2082 -0.3136 O.3 1 noname -0.1753 10 C1 0.1167 -0.1734 -0.5041 C.2 1 noname 0.0761 11 C2 -1.7981 -0.7907 0.3974 C.2 1 noname 0.0701 12 C3 1.1232 0.0808 0.4202 C.2 1 noname 0.0653 13 C4 -0.0191 0.6380 -1.6245 C.2 1 noname 0.0653 14 C5 0.8517 1.7035 -1.8206 C.2 1 noname 0.0615 15 C6 1.9941 1.1463 0.2241 C.2 1 noname 0.0615 16 C7 1.8583 1.9576 -0.8964 C.2 1 noname 0.0524 17 C8 -2.8113 -1.6861 0.7195 C.2 1 noname 0.0593 18 C9 -1.8855 0.5345 0.8074 C.2 1 noname 0.0306 19 C10 -3.9119 -1.2563 1.4515 C.2 1 noname 0.0264 20 C11 -2.9861 0.9644 1.5395 C.2 1 noname -0.0105 21 C12 -3.9993 0.0690 1.8616 C.2 1 noname -0.0188 22 H1 -3.0503 1.9369 1.8404 H 1 noname 0.0639 23 H2 -4.8070 0.3844 2.3988 H 1 noname 0.0639 @BOND 1 1 12 1 2 2 13 1 3 3 14 1 4 4 15 1 5 5 16 1 6 6 17 1 7 7 18 1 8 8 19 1 9 9 10 1 10 9 11 1 11 10 12 2 12 10 13 1 13 11 17 1 14 11 18 2 15 12 15 1 16 13 14 2 17 14 16 1 18 15 16 2 19 17 19 2 20 18 20 1 21 19 21 1 22 20 21 2 23 20 22 1 24 21 23 1 @SUBSTRUCTURE 1 noname 1