@MOLECULE 86278315 29 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -2.4958 0.0320 1.6761 Cl 1 noname -0.0733 2 Cl2 2.1161 -1.9391 3.6512 Cl 1 noname -0.0799 3 F1 -2.9482 5.9414 1.9384 F 1 noname -0.1671 4 O1 -2.1022 1.1949 -0.5618 O.3 1 noname -0.2024 5 O2 2.0023 1.5731 -2.8266 O.2 1 noname -0.2770 6 N1 1.9790 0.5109 -0.8217 N.3 1 noname -0.1320 7 C1 -0.1156 0.2595 0.3975 C.2 1 noname 0.0286 8 C2 1.3167 0.0413 0.2773 C.2 1 noname 0.0213 9 C3 -0.7753 0.9603 -0.6449 C.2 1 noname 0.0291 10 C4 -0.8330 -0.2134 1.5316 C.2 1 noname 0.0274 11 C5 2.0343 -0.6542 1.2913 C.2 1 noname 0.0050 12 C6 -0.0474 1.4154 -1.7736 C.2 1 noname 0.0870 13 C7 1.3470 1.1763 -1.8389 C.2 1 noname 0.1051 14 C8 -0.1007 -0.9001 2.5396 C.2 1 noname 0.0096 15 C9 1.3030 -1.1169 2.4229 C.2 1 noname 0.0087 16 C10 -2.3125 2.3748 0.0597 C.2 1 noname 0.0013 17 C11 -3.6093 2.8322 0.2623 C.2 1 noname -0.0064 18 C12 -1.2321 3.1322 0.4970 C.2 1 noname -0.0064 19 C13 -3.8259 4.0470 0.9021 C.2 1 noname 0.0032 20 C14 -1.4486 4.3470 1.1369 C.2 1 noname 0.0032 21 C15 -2.7455 4.8044 1.3395 C.2 1 noname 0.0156 22 H1 2.9363 0.3672 -0.8842 H 1 noname 0.1374 23 H2 3.0382 -0.8158 1.2103 H 1 noname 0.0655 24 H3 -0.5224 1.9091 -2.5294 H 1 noname 0.0703 25 H4 -0.5915 -1.2452 3.3645 H 1 noname 0.0654 26 H5 -4.4021 2.2763 -0.0586 H 1 noname 0.0651 27 H6 -0.2805 2.7966 0.3483 H 1 noname 0.0651 28 H7 -4.7775 4.3826 1.0508 H 1 noname 0.0654 29 H8 -0.6559 4.9029 1.4578 H 1 noname 0.0654 @BOND 1 1 10 1 2 2 15 1 3 3 21 1 4 4 9 1 5 4 16 1 6 5 13 2 7 6 8 1 8 6 13 1 9 6 22 1 10 7 8 2 11 7 9 1 12 7 10 1 13 8 11 1 14 9 12 2 15 10 14 2 16 11 15 2 17 11 23 1 18 12 13 1 19 12 24 1 20 14 15 1 21 14 25 1 22 16 17 2 23 16 18 1 24 17 19 1 25 17 26 1 26 18 20 2 27 18 27 1 28 19 21 2 29 19 28 1 30 20 21 1 31 20 29 1 @SUBSTRUCTURE 1 noname 1