@MOLECULE FDBD00683 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 5.8665 -1.2890 -0.4270 Cl 1 UNK -0.1217 2 O -5.6929 0.2750 -0.6389 O.co2 1 UNK -0.5495 3 O1 -3.7329 0.8749 -1.6056 O.co2 1 UNK -0.5495 4 N 0.8539 1.6108 0.3347 N.4 1 UNK 0.2317 5 C 0.6190 -0.5894 0.0592 C.3 1 UNK 0.0100 6 C1 -0.0770 0.6012 0.2696 C.3 1 UNK -0.0188 7 C2 2.0116 -0.2651 -0.0016 C.3 1 UNK 0.0112 8 C3 -2.1756 -0.5486 0.2729 C.3 1 UNK -0.0283 9 C4 2.1258 1.1143 0.1735 C.3 1 UNK -0.0190 10 C5 -3.6642 -0.5387 0.3853 C.3 1 UNK -0.0012 11 C6 -1.4713 0.6536 0.3806 C.3 1 UNK -0.0060 12 C7 -0.1145 -1.7899 -0.0458 C.3 1 UNK -0.0444 13 C8 -1.5093 -1.7535 0.0630 C.3 1 UNK -0.0490 14 C9 3.1878 -1.0208 -0.1902 C.3 1 UNK -0.0283 15 C10 3.3579 1.7783 0.1696 C.3 1 UNK -0.0081 16 C11 -4.1840 -0.0247 1.7426 C.3 1 UNK -0.0570 17 C12 4.4271 -0.3708 -0.1966 C.3 1 UNK 0.0346 18 C13 -4.3364 0.2741 -0.7260 C.2 1 UNK 0.0448 19 C14 4.5085 1.0083 -0.0194 C.3 1 UNK -0.0316 20 H 0.7867 2.0693 1.2434 H 1 UNK 0.2019 21 H1 0.6660 2.2771 -0.4144 H 1 UNK 0.2019 22 H2 0.8265 -1.6278 -0.0945 H 1 UNK 0.0360 23 H3 -1.0441 1.0402 0.3995 H 1 UNK 0.0853 24 H4 2.2719 -1.2912 -0.1570 H 1 UNK 0.0361 25 H5 -1.1199 -0.6765 0.1547 H 1 UNK 0.0309 26 H6 2.8066 1.9376 0.2329 H 1 UNK 0.0853 27 H7 -3.9305 -1.5706 0.2892 H 1 UNK 0.0360 28 H8 -1.8293 1.3042 -0.3898 H 1 UNK 0.0323 29 H9 -1.6514 0.9846 1.3820 H 1 UNK 0.0323 30 H10 0.2415 -2.4413 0.7248 H 1 UNK 0.0270 31 H11 0.0522 -2.1005 -1.0561 H 1 UNK 0.0270 32 H12 -1.8974 -2.1628 -0.8463 H 1 UNK 0.0268 33 H13 -1.6913 -2.2878 0.9720 H 1 UNK 0.0268 34 H14 3.0914 -1.5178 -1.1328 H 1 UNK 0.0284 35 H15 3.2321 -1.6411 0.6805 H 1 UNK 0.0284 36 H16 3.4566 2.2749 1.1122 H 1 UNK 0.0320 37 H17 3.3175 2.4198 -0.6858 H 1 UNK 0.0320 38 H18 -3.9260 1.0076 1.8556 H 1 UNK 0.0236 39 H19 -3.7389 -0.5922 2.5330 H 1 UNK 0.0236 40 H20 -5.2478 -0.1328 1.7812 H 1 UNK 0.0236 41 H21 3.6325 0.3218 -0.0125 H 1 UNK 0.0465 42 H22 5.1265 1.1688 0.8392 H 1 UNK 0.0281 43 H23 4.8652 1.3472 -0.9696 H 1 UNK 0.0281 @BOND 1 1 17 1 2 2 18 ar 3 3 18 ar 4 4 6 1 5 4 9 1 6 5 6 1 7 5 7 1 8 5 12 1 9 6 11 1 10 7 9 1 11 7 14 1 12 8 10 1 13 8 11 1 14 8 13 1 15 9 15 1 16 10 16 1 17 10 18 1 18 12 13 1 19 14 17 1 20 15 19 1 21 17 19 1 22 4 20 1 23 4 21 1 24 5 22 1 25 6 23 1 26 7 24 1 27 8 25 1 28 9 26 1 29 10 27 1 30 11 28 1 31 11 29 1 32 12 30 1 33 12 31 1 34 13 32 1 35 13 33 1 36 14 34 1 37 14 35 1 38 15 36 1 39 15 37 1 40 16 38 1 41 16 39 1 42 16 40 1 43 17 41 1 44 19 42 1 45 19 43 1