@MOLECULE DB01221 32 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.9823 -1.3543 -1.5543 Cl 1 noname -0.0805 2 C1 1.4905 -0.1026 -0.5358 C.2 1 noname -0.0008 3 C2 0.1518 -0.1253 0.0148 C.2 1 noname -0.0095 4 C3 2.4038 0.9514 -0.2386 C.2 1 noname -0.0246 5 C4 -0.2649 0.9789 0.8609 C.2 1 noname -0.0390 6 C5 -0.7266 -1.3304 -0.2831 C.3 1 noname 0.1041 7 C6 1.9515 2.0067 0.6160 C.2 1 noname -0.0508 8 C7 0.6344 2.0521 1.1627 C.2 1 noname -0.0552 9 N1 -0.5673 -1.7688 -1.6910 N.3 1 noname -0.3042 10 C8 -0.2055 -2.5310 0.5777 C.2 1 noname 0.1504 11 C9 -2.2854 -1.1363 -0.0937 C.3 1 noname -0.0234 12 C10 -0.9480 -0.6781 -2.5871 C.3 1 noname -0.0151 13 O1 0.8172 -2.4381 1.2904 O.2 1 noname -0.2904 14 C11 -1.0327 -3.8444 0.4949 C.3 1 noname 0.0084 15 C12 -3.1035 -2.4445 -0.3271 C.3 1 noname -0.0503 16 C13 -2.5678 -3.5682 0.6170 C.3 1 noname -0.0462 17 H1 3.4130 0.9504 -0.6506 H 1 noname 0.0638 18 H2 -1.2719 1.0026 1.2773 H 1 noname 0.0626 19 H3 2.6422 2.8133 0.8620 H 1 noname 0.0623 20 H4 0.3234 2.8845 1.7941 H 1 noname 0.0622 21 H5 -0.2467 -2.6770 -1.9951 H 1 noname 0.1231 22 H6 -2.4348 -0.8783 0.9548 H 1 noname 0.0293 23 H7 -2.6034 -0.4463 -0.8753 H 1 noname 0.0293 24 H8 -1.2501 0.1876 -1.9978 H 1 noname 0.0391 25 H9 -0.0985 -0.4112 -3.2158 H 1 noname 0.0391 26 H10 -1.7791 -0.9977 -3.2158 H 1 noname 0.0391 27 H11 -0.8698 -4.2435 -0.5062 H 1 noname 0.0347 28 H12 -0.7550 -4.4340 1.3686 H 1 noname 0.0347 29 H13 -4.1274 -2.2344 -0.0177 H 1 noname 0.0267 30 H14 -2.8978 -2.7660 -1.3481 H 1 noname 0.0267 31 H15 -3.0593 -4.4849 0.2912 H 1 noname 0.0271 32 H16 -2.7213 -3.1982 1.6308 H 1 noname 0.0271 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 6 9 1 9 6 10 1 10 6 11 1 11 7 8 1 12 9 12 1 13 10 13 2 14 10 14 1 15 11 15 1 16 14 16 1 17 15 16 1 18 4 17 1 19 5 18 1 20 7 19 1 21 8 20 1 22 9 21 1 23 11 22 1 24 11 23 1 25 12 24 1 26 12 25 1 27 12 26 1 28 14 27 1 29 14 28 1 30 15 29 1 31 15 30 1 32 16 31 1 33 16 32 1 @SUBSTRUCTURE 1 noname 1