@MOLECULE FDBD02418 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 C 16.3471 8.2781 -0.6123 C.3 1 UNK -0.0632 2 C1 16.1071 8.3473 -2.1130 C.3 1 UNK -0.0323 3 C2 16.2022 6.9799 -2.7862 C.3 1 UNK 0.0475 4 O 15.3177 5.9945 -2.2583 O.3 1 UNK -0.3782 5 C3 13.9215 6.2940 -2.3260 C.3 1 UNK 0.0638 6 C4 13.3858 6.4279 -3.7554 C.3 1 UNK 0.0432 7 N 11.9504 6.7365 -3.8200 N.am 1 UNK -0.2677 8 C5 11.5397 8.0545 -3.6178 C.2 1 UNK 0.2345 9 O1 12.3348 8.9128 -3.2176 O.2 1 UNK -0.2740 10 C6 10.0926 8.4300 -3.9147 C.3 1 UNK 0.0994 11 Cl 10.0631 9.6035 -5.2523 Cl 1 UNK -0.1156 12 C7 11.0803 5.7098 -4.2694 C.ar 1 UNK 0.0427 13 C8 11.0675 5.3482 -5.6382 C.ar 1 UNK -0.0259 14 C9 11.9640 5.9832 -6.6842 C.3 1 UNK -0.0288 15 C10 11.2050 6.6608 -7.8165 C.3 1 UNK -0.0612 16 C11 10.1852 4.3388 -6.0534 C.ar 1 UNK -0.0568 17 C12 9.3244 3.7230 -5.1509 C.ar 1 UNK -0.0611 18 C13 9.3400 4.0869 -3.8071 C.ar 1 UNK -0.0568 19 C14 10.2192 5.0735 -3.3332 C.ar 1 UNK -0.0259 20 C15 10.2613 5.4365 -1.8580 C.3 1 UNK -0.0288 21 C16 9.3956 4.6209 -0.9026 C.3 1 UNK -0.0612 22 H 16.2691 9.2594 -0.1930 H 1 UNK 0.0230 23 H1 17.3254 7.8870 -0.4252 H 1 UNK 0.0230 24 H2 15.6157 7.6392 -0.1632 H 1 UNK 0.0230 25 H3 16.8394 8.9951 -2.5477 H 1 UNK 0.0285 26 H4 15.1142 8.7156 -2.2659 H 1 UNK 0.0285 27 H5 17.2045 6.6223 -2.6749 H 1 UNK 0.0560 28 H6 15.9187 7.1250 -3.8077 H 1 UNK 0.0560 29 H7 13.7494 7.2174 -1.8135 H 1 UNK 0.0575 30 H8 13.4046 5.4726 -1.8754 H 1 UNK 0.0575 31 H9 13.5566 5.5045 -4.2684 H 1 UNK 0.0491 32 H10 13.9033 7.2474 -4.2086 H 1 UNK 0.0491 33 H11 9.6492 8.8666 -3.0443 H 1 UNK 0.0525 34 H12 9.5403 7.5553 -4.1881 H 1 UNK 0.0525 35 H13 12.5851 5.2198 -7.1042 H 1 UNK 0.0311 36 H14 12.5287 6.7451 -6.1887 H 1 UNK 0.0311 37 H15 10.6235 5.9324 -8.3421 H 1 UNK 0.0233 38 H16 11.9008 7.1155 -8.4903 H 1 UNK 0.0233 39 H17 10.5572 7.4107 -7.4130 H 1 UNK 0.0233 40 H18 10.1749 4.0489 -7.0438 H 1 UNK 0.0621 41 H19 8.6718 2.9937 -5.4785 H 1 UNK 0.0618 42 H20 8.6945 3.6237 -3.1484 H 1 UNK 0.0621 43 H21 9.9571 6.4587 -1.7715 H 1 UNK 0.0311 44 H22 11.2667 5.2286 -1.5567 H 1 UNK 0.0311 45 H23 8.3631 4.7738 -1.1381 H 1 UNK 0.0233 46 H24 9.5822 4.9341 0.1034 H 1 UNK 0.0233 47 H25 9.6343 3.5827 -1.0030 H 1 UNK 0.0233 @BOND 1 12 13 ar 2 13 16 ar 3 12 19 ar 4 18 19 ar 5 17 18 ar 6 16 17 ar 7 1 2 1 8 2 3 1 9 3 4 1 10 4 5 1 11 5 6 1 12 6 7 1 13 7 12 1 14 13 14 1 15 14 15 1 16 19 20 1 17 20 21 1 18 7 8 am 19 8 10 1 20 10 11 1 21 8 9 2 22 1 22 1 23 1 23 1 24 1 24 1 25 2 25 1 26 2 26 1 27 3 27 1 28 3 28 1 29 5 29 1 30 5 30 1 31 6 31 1 32 6 32 1 33 10 33 1 34 10 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1 39 15 39 1 40 16 40 1 41 17 41 1 42 18 42 1 43 20 43 1 44 20 44 1 45 21 45 1 46 21 46 1 47 21 47 1