@MOLECULE FDBD00891 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -7.1677 -2.9104 -0.1781 Cl 1 UNK -0.0835 2 O 2.2890 0.6715 -0.9147 O.3 1 UNK -0.4750 3 O1 5.4499 -0.2834 0.5466 O.3 1 UNK -0.4592 4 O2 4.8903 0.3151 -1.6056 O.2 1 UNK -0.2463 5 O3 -3.5203 2.5472 0.7281 O.2 1 UNK -0.2867 6 C 3.1686 0.2339 0.1123 C.3 1 UNK 0.2005 7 C1 3.1323 1.2614 1.2423 C.3 1 UNK -0.0145 8 C2 2.6856 -1.1288 0.5988 C.3 1 UNK -0.0145 9 C3 4.5839 0.0898 -0.4408 C.2 1 UNK 0.3511 10 C4 6.5884 -1.0379 0.1189 C.3 1 UNK 0.0976 11 C5 0.9909 0.8561 -0.6143 C.ar 1 UNK 0.1221 12 C6 0.0714 -0.1950 -0.7468 C.ar 1 UNK -0.0192 13 C7 0.5335 2.1038 -0.1650 C.ar 1 UNK -0.0192 14 C8 -1.7171 1.2426 0.0088 C.ar 1 UNK 0.0225 15 C9 7.4659 -1.3458 1.3225 C.3 1 UNK -0.0280 16 C10 6.1163 -2.3052 -0.5775 C.3 1 UNK -0.0280 17 C11 -1.2750 -0.0029 -0.4371 C.ar 1 UNK -0.0475 18 C12 -0.8129 2.2960 0.1449 C.ar 1 UNK -0.0475 19 C13 -3.1213 1.4424 0.3310 C.2 1 UNK 0.1931 20 C14 -4.1349 0.3522 0.2039 C.ar 1 UNK 0.0223 21 C15 -4.3669 -0.4604 1.2892 C.ar 1 UNK -0.0495 22 C16 -4.7952 0.2047 -0.9937 C.ar 1 UNK -0.0495 23 C17 -5.3130 -1.4785 1.1699 C.ar 1 UNK -0.0427 24 C18 -5.7413 -0.8133 -1.1128 C.ar 1 UNK -0.0427 25 C19 -6.0002 -1.6549 -0.0311 C.ar 1 UNK 0.0410 26 H 2.1329 1.3466 1.6149 H 1 UNK 0.0273 27 H1 3.4569 2.2111 0.8714 H 1 UNK 0.0273 28 H2 3.7817 0.9461 2.0321 H 1 UNK 0.0273 29 H3 1.6933 -1.0372 0.9886 H 1 UNK 0.0273 30 H4 3.3392 -1.4853 1.3673 H 1 UNK 0.0273 31 H5 2.6855 -1.8197 -0.2182 H 1 UNK 0.0273 32 H6 7.1727 -0.4763 -0.5797 H 1 UNK 0.0728 33 H7 0.3939 -1.1183 -1.0762 H 1 UNK 0.0654 34 H8 1.1987 2.8861 -0.0629 H 1 UNK 0.0654 35 H9 6.9043 -1.9085 2.0387 H 1 UNK 0.0265 36 H10 7.7953 -0.4301 1.7673 H 1 UNK 0.0265 37 H11 8.3154 -1.9154 1.0082 H 1 UNK 0.0265 38 H12 5.5279 -2.8869 0.1009 H 1 UNK 0.0265 39 H13 6.9646 -2.8757 -0.8935 H 1 UNK 0.0265 40 H14 5.5243 -2.0444 -1.4298 H 1 UNK 0.0265 41 H15 -1.9440 -0.7822 -0.5379 H 1 UNK 0.0626 42 H16 -1.1400 3.2175 0.4748 H 1 UNK 0.0626 43 H17 -3.8522 -0.3199 2.1726 H 1 UNK 0.0625 44 H18 -4.5949 0.8337 -1.7870 H 1 UNK 0.0625 45 H19 -5.5045 -2.1012 1.9702 H 1 UNK 0.0632 46 H20 -6.2498 -0.9438 -2.0013 H 1 UNK 0.0632 @BOND 1 1 25 1 2 2 6 1 3 2 11 1 4 3 9 1 5 3 10 1 6 4 9 2 7 5 19 2 8 6 7 1 9 6 8 1 10 6 9 1 11 10 15 1 12 10 16 1 13 11 12 ar 14 11 13 ar 15 12 17 ar 16 13 18 ar 17 14 17 ar 18 14 18 ar 19 14 19 1 20 19 20 1 21 20 21 ar 22 20 22 ar 23 21 23 ar 24 22 24 ar 25 23 25 ar 26 24 25 ar 27 7 26 1 28 7 27 1 29 7 28 1 30 8 29 1 31 8 30 1 32 8 31 1 33 10 32 1 34 12 33 1 35 13 34 1 36 15 35 1 37 15 36 1 38 15 37 1 39 16 38 1 40 16 39 1 41 16 40 1 42 17 41 1 43 18 42 1 44 21 43 1 45 22 44 1 46 23 45 1 47 24 46 1