@MOLECULE 73425539 43 43 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.2373 -0.8558 -1.8223 Cl 1 noname -0.0786 2 Cl2 -1.1556 0.2482 2.8101 Cl 1 noname -0.0786 3 O1 -4.9445 -2.5617 -1.5433 O.3 1 noname -0.3789 4 O2 -1.9296 -0.8632 -0.3907 O.3 1 noname -0.3741 5 N1 -12.6286 -4.2128 -5.1191 N.3 1 noname -0.3304 6 C1 -8.2914 -2.8064 -3.2138 C.3 1 noname -0.0511 7 C2 -9.2476 -3.9814 -3.4278 C.3 1 noname -0.0520 8 C3 -7.0515 -3.2889 -2.4584 C.3 1 noname -0.0296 9 C4 -10.4875 -3.4988 -4.1833 C.3 1 noname -0.0409 10 C5 -6.0952 -2.1139 -2.2444 C.3 1 noname 0.0468 11 C6 -11.4438 -4.6739 -4.3972 C.3 1 noname -0.0076 12 C7 -4.0570 -1.4712 -1.3447 C.3 1 noname 0.0701 13 C8 -2.8171 -1.9537 -0.5892 C.3 1 noname 0.0706 14 C9 -0.7788 -1.3110 0.3105 C.3 1 noname 0.0748 15 C10 0.1337 -0.1898 0.5147 C.2 1 noname 0.0219 16 C11 1.1086 0.0946 -0.4345 C.2 1 noname 0.0089 17 C12 0.0276 0.5933 1.6582 C.2 1 noname 0.0089 18 C13 1.9773 1.1621 -0.2401 C.2 1 noname -0.0224 19 C14 0.8964 1.6608 1.8525 C.2 1 noname -0.0224 20 C15 1.8712 1.9452 0.9034 C.2 1 noname -0.0407 21 H1 -8.7920 -2.0316 -2.6332 H 1 noname 0.0267 22 H2 -7.9928 -2.4003 -4.1803 H 1 noname 0.0267 23 H3 -9.5462 -4.3875 -2.4613 H 1 noname 0.0267 24 H4 -8.7470 -4.7562 -4.0085 H 1 noname 0.0267 25 H5 -7.3501 -3.6950 -1.4919 H 1 noname 0.0290 26 H6 -6.5509 -4.0637 -3.0390 H 1 noname 0.0290 27 H7 -10.9882 -2.7240 -3.6026 H 1 noname 0.0279 28 H8 -10.1890 -3.0927 -5.1497 H 1 noname 0.0279 29 H9 -6.5958 -1.3391 -1.6637 H 1 noname 0.0566 30 H10 -5.7967 -1.7078 -3.2109 H 1 noname 0.0566 31 H11 -11.7424 -5.0799 -3.4307 H 1 noname 0.0425 32 H12 -10.9432 -5.4486 -4.9779 H 1 noname 0.0425 33 H13 -4.5576 -0.6964 -0.7640 H 1 noname 0.0590 34 H14 -3.7584 -1.0651 -2.3112 H 1 noname 0.0590 35 H15 -3.1156 -2.3598 0.3772 H 1 noname 0.0590 36 H16 -2.3165 -2.7285 -1.1699 H 1 noname 0.0590 37 H17 -13.2673 -4.9976 -5.2620 H 1 noname 0.1184 38 H18 -13.0980 -3.4863 -4.5747 H 1 noname 0.1184 39 H19 -1.0774 -1.7171 1.2770 H 1 noname 0.0618 40 H20 -0.2782 -2.0858 -0.2702 H 1 noname 0.0618 41 H21 2.6927 1.3708 -0.9366 H 1 noname 0.0638 42 H22 0.8185 2.2355 2.6916 H 1 noname 0.0638 43 H23 2.5088 2.7286 1.0460 H 1 noname 0.0623 @BOND 1 1 16 1 2 2 17 1 3 3 10 1 4 3 12 1 5 4 13 1 6 4 14 1 7 5 11 1 8 5 37 1 9 5 38 1 10 6 7 1 11 6 8 1 12 6 21 1 13 6 22 1 14 7 9 1 15 7 23 1 16 7 24 1 17 8 10 1 18 8 25 1 19 8 26 1 20 9 11 1 21 9 27 1 22 9 28 1 23 10 29 1 24 10 30 1 25 11 31 1 26 11 32 1 27 12 13 1 28 12 33 1 29 12 34 1 30 13 35 1 31 13 36 1 32 14 15 1 33 14 39 1 34 14 40 1 35 15 16 2 36 15 17 1 37 16 18 1 38 17 19 2 39 18 20 2 40 18 41 1 41 19 20 1 42 19 42 1 43 20 43 1 @SUBSTRUCTURE 1 noname 1