@MOLECULE FDBD01012 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0791 -2.1915 -0.7337 O.3 1 UNK -0.4920 2 O1 6.6724 1.1351 0.5843 O.2 1 UNK -0.2755 3 N -3.6731 0.8399 0.0780 N.ar 1 UNK -0.0722 4 N1 -4.6810 1.7014 -0.1180 N.ar 1 UNK -0.0562 5 N2 -5.4801 -0.3441 0.2670 N.ar 1 UNK -0.0632 6 N3 -5.7837 0.9715 -0.0016 N.ar 1 UNK -0.0095 7 N4 4.8589 -0.2394 0.8971 N.am 1 UNK -0.2852 8 C -2.2747 1.2854 0.0239 C.3 1 UNK 0.1872 9 C1 -1.7282 1.6601 1.4117 C.3 1 UNK 0.0121 10 C2 -2.0630 2.4198 -0.9926 C.3 1 UNK 0.0121 11 C3 -0.2643 2.0898 1.3347 C.3 1 UNK -0.0469 12 C4 -0.5970 2.8444 -1.0537 C.3 1 UNK -0.0469 13 C5 -0.0599 3.2166 0.3258 C.3 1 UNK -0.0526 14 C6 -4.1897 -0.3740 0.3054 C.ar 1 UNK 0.3243 15 C7 -3.3264 -1.5830 0.5644 C.3 1 UNK 0.0562 16 C8 -2.9700 -2.3074 -0.7366 C.3 1 UNK -0.0387 17 C9 -2.0664 -3.5099 -0.4719 C.3 1 UNK -0.0181 18 C10 -0.7426 -3.0915 0.1524 C.3 1 UNK 0.0896 19 C11 3.0698 -0.3188 -0.7478 C.ar 1 UNK -0.0223 20 C12 3.8810 0.5685 -1.6473 C.3 1 UNK -0.0175 21 C13 3.6064 -0.7249 0.4806 C.ar 1 UNK 0.0368 22 C14 4.7726 1.4952 -0.8344 C.3 1 UNK 0.0283 23 C15 1.1382 -1.7231 -0.3434 C.ar 1 UNK 0.1209 24 C16 1.8336 -0.8288 -1.1584 C.ar 1 UNK -0.0150 25 C17 5.5450 0.7707 0.2506 C.2 1 UNK 0.2175 26 C18 2.9197 -1.6349 1.2877 C.ar 1 UNK -0.0368 27 C19 1.6814 -2.1271 0.8759 C.ar 1 UNK -0.0182 28 H -4.6174 2.6655 -0.3071 H 1 UNK 0.2635 29 H1 5.2705 -0.6425 1.6954 H 1 UNK 0.1548 30 H2 -1.7066 0.4466 -0.3204 H 1 UNK 0.1092 31 H3 -1.8088 0.8117 2.0587 H 1 UNK 0.0330 32 H4 -2.3014 2.4806 1.7900 H 1 UNK 0.0330 33 H5 -2.6578 3.2613 -0.7046 H 1 UNK 0.0330 34 H6 -2.3522 2.0648 -1.9597 H 1 UNK 0.0330 35 H7 0.3290 1.2492 1.0409 H 1 UNK 0.0267 36 H8 0.0298 2.4478 2.2992 H 1 UNK 0.0267 37 H9 -0.5080 3.6918 -1.7009 H 1 UNK 0.0267 38 H10 -0.0254 2.0187 -1.4229 H 1 UNK 0.0267 39 H11 0.9866 3.4246 0.2458 H 1 UNK 0.0265 40 H12 -0.5965 4.0752 0.6719 H 1 UNK 0.0265 41 H13 -3.8559 -2.2577 1.2041 H 1 UNK 0.0391 42 H14 -2.4183 -1.2545 1.0252 H 1 UNK 0.0391 43 H15 -2.4623 -1.6263 -1.3871 H 1 UNK 0.0272 44 H16 -3.8751 -2.6575 -1.1874 H 1 UNK 0.0272 45 H17 -1.8710 -4.0077 -1.3987 H 1 UNK 0.0298 46 H18 -2.5682 -4.1603 0.2137 H 1 UNK 0.0298 47 H19 -0.9242 -2.6058 1.0884 H 1 UNK 0.0696 48 H20 -0.1312 -3.9537 0.3190 H 1 UNK 0.0696 49 H21 3.2196 1.1568 -2.2484 H 1 UNK 0.0318 50 H22 4.5006 -0.0464 -2.2661 H 1 UNK 0.0318 51 H23 4.1597 2.2427 -0.3757 H 1 UNK 0.0362 52 H24 5.4876 1.9227 -1.5059 H 1 UNK 0.0362 53 H25 1.4348 -0.5430 -2.0663 H 1 UNK 0.0657 54 H26 3.3269 -1.9417 2.1849 H 1 UNK 0.0637 55 H27 1.1662 -2.7914 1.4745 H 1 UNK 0.0655 @BOND 1 1 18 1 2 1 23 1 3 2 25 2 4 3 4 ar 5 3 8 1 6 3 14 ar 7 4 6 ar 8 5 6 ar 9 5 14 ar 10 7 21 1 11 7 25 am 12 8 9 1 13 8 10 1 14 9 11 1 15 10 12 1 16 11 13 1 17 12 13 1 18 14 15 1 19 15 16 1 20 16 17 1 21 17 18 1 22 19 20 1 23 19 21 ar 24 19 24 ar 25 20 22 1 26 21 26 ar 27 22 25 1 28 23 24 ar 29 23 27 ar 30 26 27 ar 31 4 28 1 32 7 29 1 33 8 30 1 34 9 31 1 35 9 32 1 36 10 33 1 37 10 34 1 38 11 35 1 39 11 36 1 40 12 37 1 41 12 38 1 42 13 39 1 43 13 40 1 44 15 41 1 45 15 42 1 46 16 43 1 47 16 44 1 48 17 45 1 49 17 46 1 50 18 47 1 51 18 48 1 52 20 49 1 53 20 50 1 54 22 51 1 55 22 52 1 56 24 53 1 57 26 54 1 58 27 55 1