@MOLECULE 95858502 21 20 1 SMALL USER_CHARGES @ATOM 1 Cl1 -2.8152 2.5818 -0.8526 Cl 1 noname -0.1191 2 Cl2 3.6754 -1.4671 -0.1038 Cl 1 noname -0.1191 3 Cl3 -4.2984 0.5630 1.0879 Cl 1 noname -0.1249 4 Cl4 2.1921 -3.4859 1.8368 Cl 1 noname -0.1249 5 O1 0.1187 0.2115 0.3511 O.3 1 noname -0.3781 6 C1 1.3662 -0.1011 -0.2509 C.3 1 noname 0.0643 7 C2 -0.5919 1.1204 -0.4769 C.3 1 noname 0.0643 8 C3 -1.9360 1.4572 0.1718 C.3 1 noname 0.0705 9 C4 2.1318 -1.0803 0.6411 C.3 1 noname 0.0705 10 C5 -2.7549 0.1762 0.3430 C.3 1 noname 0.0410 11 C6 1.3129 -2.3614 0.8124 C.3 1 noname 0.0410 12 H1 -0.7631 0.6655 -1.4525 H 1 noname 0.0582 13 H2 -0.0085 2.0330 -0.5989 H 1 noname 0.0582 14 H3 1.1950 -0.5560 -1.2266 H 1 noname 0.0582 15 H4 1.9496 0.8115 -0.3730 H 1 noname 0.0582 16 H5 -1.7648 1.9122 1.1474 H 1 noname 0.0508 17 H6 2.3030 -0.6254 1.6167 H 1 noname 0.0508 18 H7 -2.9261 -0.2787 -0.6326 H 1 noname 0.0451 19 H8 -2.2094 -0.5214 0.9786 H 1 noname 0.0451 20 H9 0.3553 -2.1214 1.2745 H 1 noname 0.0451 21 H10 1.1417 -2.8163 -0.1632 H 1 noname 0.0451 @BOND 1 8 1 1 2 9 2 1 3 3 10 1 4 4 11 1 5 5 6 1 6 5 7 1 7 6 9 1 8 6 14 1 9 6 15 1 10 7 8 1 11 7 12 1 12 7 13 1 13 8 10 1 14 8 16 1 15 9 11 1 16 9 17 1 17 10 18 1 18 10 19 1 19 11 20 1 20 11 21 1 @SUBSTRUCTURE 1 noname 1