@MOLECULE 67185304 32 35 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.5091 3.4998 -1.1290 Cl 1 noname -0.0831 2 O1 1.8414 1.5529 0.1551 O.3 1 noname -0.3343 3 O2 3.6886 -0.6900 0.2315 O.2 1 noname -0.2461 4 N1 -0.7781 -4.1495 -1.0112 N.3 1 noname -0.3086 5 N2 -0.3597 -1.2484 0.0479 N.3 1 noname 0.0789 6 N3 1.8621 -2.0675 0.1346 N.2 1 noname -0.1536 7 C1 -0.0161 -3.6920 0.1627 C.3 1 noname 0.0498 8 C2 1.0947 -4.7579 0.1864 C.3 1 noname -0.0308 9 C3 0.3418 -6.0588 -0.0425 C.3 1 noname -0.0388 10 C4 -0.8284 -5.6261 -0.9348 C.3 1 noname -0.0041 11 C5 0.5104 -2.3126 0.0856 C.2 1 noname 0.0287 12 C6 0.1772 -0.0032 0.0463 C.2 1 noname 0.0734 13 C7 1.5588 0.2263 0.1472 C.2 1 noname 0.0866 14 C8 -0.3928 1.2401 -0.1299 C.2 1 noname 0.0372 15 C9 2.4493 -0.8435 0.1746 C.2 1 noname 0.1467 16 C10 0.6526 2.1907 -0.0361 C.2 1 noname 0.0598 17 C11 -1.7301 1.6023 -0.4587 C.2 1 noname 0.0060 18 C12 0.4161 3.5764 -0.2064 C.2 1 noname 0.0098 19 C13 -1.9638 2.9893 -0.6845 C.2 1 noname -0.0022 20 C14 -0.9214 3.9623 -0.5443 C.2 1 noname -0.0088 21 H1 -0.6636 -3.7490 1.0396 H 1 noname 0.0532 22 H2 1.5600 -4.7759 1.1719 H 1 noname 0.0287 23 H3 1.7848 -4.5849 -0.6395 H 1 noname 0.0287 24 H4 -0.0432 -6.4278 0.9081 H 1 noname 0.0280 25 H5 0.9571 -6.8410 -0.4872 H 1 noname 0.0280 26 H6 -1.7681 -5.9343 -0.4764 H 1 noname 0.0428 27 H7 -0.7473 -6.0276 -1.9449 H 1 noname 0.0428 28 H8 -0.2904 -3.8690 -1.8644 H 1 noname 0.1228 29 H9 -1.3200 -1.3831 0.0235 H 1 noname 0.0649 30 H10 -2.4761 0.9100 -0.5282 H 1 noname 0.0645 31 H11 1.1603 4.2648 -0.0941 H 1 noname 0.0651 32 H12 -1.1360 4.9491 -0.6878 H 1 noname 0.0639 @BOND 1 1 19 1 2 2 13 1 3 2 16 1 4 3 15 2 5 4 7 1 6 4 10 1 7 4 28 1 8 5 11 1 9 5 12 1 10 5 29 1 11 6 11 2 12 6 15 1 13 7 8 1 14 7 11 1 15 7 21 1 16 8 9 1 17 8 22 1 18 8 23 1 19 9 10 1 20 9 24 1 21 9 25 1 22 10 26 1 23 10 27 1 24 12 13 2 25 12 14 1 26 13 15 1 27 14 16 2 28 14 17 1 29 16 18 1 30 17 19 2 31 17 30 1 32 18 20 2 33 18 31 1 34 19 20 1 35 20 32 1 @SUBSTRUCTURE 1 noname 1