@MOLECULE FDBD00424 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -4.1323 -5.0114 0.6383 Cl 1 UNK -0.0835 2 O 5.9852 -0.0398 0.3096 O.3 1 UNK -0.3723 3 O1 8.7307 0.3909 -0.0161 O.3 1 UNK -0.3927 4 N -0.4131 0.5092 -0.0999 N.4 1 UNK 0.2514 5 N1 2.4541 0.7718 -0.3627 N.4 1 UNK 0.2443 6 C 0.4281 -0.6404 -0.4547 C.3 1 UNK 0.0104 7 C1 0.1977 1.7567 -0.5752 C.3 1 UNK 0.0104 8 C2 1.8431 -0.4763 0.1106 C.3 1 UNK 0.0096 9 C3 1.6122 1.9214 -0.0088 C.3 1 UNK 0.0096 10 C4 -1.7616 0.3524 -0.6411 C.3 1 UNK 0.0313 11 C5 3.8019 0.9287 0.1805 C.3 1 UNK -0.0075 12 C6 -2.3618 -1.0075 -0.3164 C.ar 1 UNK 0.0049 13 C7 -2.6857 1.4909 -0.2349 C.ar 1 UNK 0.0048 14 C8 4.6833 -0.2421 -0.2243 C.3 1 UNK 0.0876 15 C9 -2.1635 -2.0519 -1.1965 C.ar 1 UNK -0.0515 16 C10 -3.0873 -1.1560 0.8482 C.ar 1 UNK -0.0515 17 C11 -3.7111 1.8535 -1.0846 C.ar 1 UNK -0.0529 18 C12 -2.4713 2.1267 0.9710 C.ar 1 UNK -0.0529 19 C13 -2.7146 -3.2984 -0.8993 C.ar 1 UNK -0.0429 20 C14 -3.6384 -2.4025 1.1455 C.ar 1 UNK -0.0429 21 C15 -4.5585 2.8971 -0.7123 C.ar 1 UNK -0.0613 22 C16 -3.3188 3.1703 1.3433 C.ar 1 UNK -0.0613 23 C17 -3.4520 -3.4738 0.2718 C.ar 1 UNK 0.0410 24 C18 -4.3624 3.5554 0.5016 C.ar 1 UNK -0.0617 25 C19 6.8612 -1.1044 -0.0346 C.3 1 UNK 0.0710 26 C20 8.2352 -0.8204 0.5411 C.3 1 UNK 0.0676 27 H 9.6099 0.5785 0.3482 H 1 UNK 0.2095 28 H1 -0.4852 0.5533 0.9166 H 1 UNK 0.2048 29 H2 2.5275 0.7282 -1.3791 H 1 UNK 0.2038 30 H3 0.4833 -0.7187 -1.5204 H 1 UNK 0.0868 31 H4 -0.0068 -1.5246 -0.0376 H 1 UNK 0.0868 32 H5 -0.4042 2.5837 -0.2612 H 1 UNK 0.0868 33 H6 0.2579 1.7236 -1.6430 H 1 UNK 0.0868 34 H7 1.7937 -0.4590 1.1793 H 1 UNK 0.0868 35 H8 2.4420 -1.2981 -0.2223 H 1 UNK 0.0868 36 H9 2.0488 2.8122 -0.4097 H 1 UNK 0.0868 37 H10 1.5489 1.9841 1.0575 H 1 UNK 0.0868 38 H11 -1.6626 0.4003 -1.7054 H 1 UNK 0.0958 39 H12 3.7473 0.9748 1.2481 H 1 UNK 0.0837 40 H13 4.2270 1.8303 -0.2084 H 1 UNK 0.0837 41 H14 4.2732 -1.1517 0.1621 H 1 UNK 0.0613 42 H15 4.7335 -0.3083 -1.2911 H 1 UNK 0.0613 43 H16 -1.6164 -1.9129 -2.0604 H 1 UNK 0.0623 44 H17 -3.2199 -0.3578 1.4887 H 1 UNK 0.0623 45 H18 -3.8486 1.3606 -1.9808 H 1 UNK 0.0622 46 H19 -1.6967 1.8349 1.5873 H 1 UNK 0.0622 47 H20 -2.5768 -4.0909 -1.5458 H 1 UNK 0.0632 48 H21 -4.1840 -2.5321 2.0118 H 1 UNK 0.0632 49 H22 -5.3305 3.1821 -1.3350 H 1 UNK 0.0618 50 H23 -3.1737 3.6575 2.2414 H 1 UNK 0.0618 51 H24 -4.9894 4.3274 0.7771 H 1 UNK 0.0618 52 H25 6.9280 -1.1837 -1.0996 H 1 UNK 0.0583 53 H26 6.4859 -2.0239 0.3636 H 1 UNK 0.0583 54 H27 8.1654 -0.7237 1.6044 H 1 UNK 0.0580 55 H28 8.8994 -1.6251 0.3039 H 1 UNK 0.0580 @BOND 1 1 23 1 2 2 14 1 3 2 25 1 4 3 26 1 5 4 6 1 6 4 7 1 7 4 10 1 8 5 8 1 9 5 9 1 10 5 11 1 11 6 8 1 12 7 9 1 13 10 12 1 14 10 13 1 15 11 14 1 16 12 15 ar 17 12 16 ar 18 13 17 ar 19 13 18 ar 20 15 19 ar 21 16 20 ar 22 17 21 ar 23 18 22 ar 24 19 23 ar 25 20 23 ar 26 21 24 ar 27 22 24 ar 28 25 26 1 29 3 27 1 30 4 28 1 31 5 29 1 32 6 30 1 33 6 31 1 34 7 32 1 35 7 33 1 36 8 34 1 37 8 35 1 38 9 36 1 39 9 37 1 40 10 38 1 41 11 39 1 42 11 40 1 43 14 41 1 44 14 42 1 45 15 43 1 46 16 44 1 47 17 45 1 48 18 46 1 49 19 47 1 50 20 48 1 51 21 49 1 52 22 50 1 53 24 51 1 54 25 52 1 55 25 53 1 56 26 54 1 57 26 55 1