@MOLECULE FDBD00937 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5851 -2.8603 -0.7778 O.3 1 UNK -0.4950 2 N 1.0285 -0.0521 0.6669 N.pl3 1 UNK -0.3395 3 N1 5.4330 1.4442 -1.7003 N.4 1 UNK 0.2185 4 N2 -0.6563 2.1552 0.5203 N.ar 1 UNK -0.2531 5 C 1.9458 -1.1688 0.7589 C.3 1 UNK 0.0181 6 C1 3.3965 -0.6686 0.7311 C.3 1 UNK -0.0300 7 C2 3.7125 0.1505 -0.5265 C.3 1 UNK -0.0110 8 C3 1.6566 -1.9312 2.0478 C.3 1 UNK -0.0467 9 C4 -0.2918 -0.1773 0.2736 C.ar 1 UNK 0.0571 10 C5 5.1435 0.6856 -0.4890 C.3 1 UNK -0.0353 11 C6 -1.1455 0.9423 0.2000 C.ar 1 UNK 0.0919 12 C7 -0.7991 -1.4537 -0.0613 C.ar 1 UNK 0.0030 13 C8 -2.4847 0.7633 -0.2056 C.ar 1 UNK 0.0056 14 C9 -2.1192 -1.6228 -0.4600 C.ar 1 UNK 0.1225 15 C10 -2.9620 -0.5173 -0.5326 C.ar 1 UNK -0.0107 16 C11 -3.3113 1.8931 -0.2698 C.ar 1 UNK -0.0510 17 C12 -2.8100 3.1442 0.0596 C.ar 1 UNK -0.0430 18 C13 -1.4870 3.2201 0.4452 C.ar 1 UNK 0.0283 19 C14 -1.6646 -3.9466 -0.6804 C.3 1 UNK 0.0788 20 H 1.3627 0.8450 0.8968 H 1 UNK 0.1464 21 H1 6.3901 1.7947 -1.6614 H 1 UNK 0.1994 22 H2 4.7860 2.2294 -1.7725 H 1 UNK 0.1994 23 H3 5.3254 0.8391 -2.5143 H 1 UNK 0.1994 24 H4 1.8120 -1.8229 -0.0773 H 1 UNK 0.0495 25 H5 4.0515 -1.5141 0.7632 H 1 UNK 0.0285 26 H6 3.5360 -0.0298 1.5781 H 1 UNK 0.0285 27 H7 3.0327 0.9746 -0.5868 H 1 UNK 0.0317 28 H8 3.6095 -0.4852 -1.3810 H 1 UNK 0.0317 29 H9 1.7898 -1.2790 2.8855 H 1 UNK 0.0247 30 H10 2.3286 -2.7598 2.1305 H 1 UNK 0.0247 31 H11 0.6486 -2.2897 2.0316 H 1 UNK 0.0247 32 H12 5.2597 1.3229 0.3626 H 1 UNK 0.0813 33 H13 5.8217 -0.1396 -0.4251 H 1 UNK 0.0813 34 H14 -0.1770 -2.2754 -0.0086 H 1 UNK 0.0673 35 H15 -3.9432 -0.6389 -0.8283 H 1 UNK 0.0661 36 H16 -4.2958 1.7942 -0.5630 H 1 UNK 0.0625 37 H17 -3.4044 3.9868 0.0178 H 1 UNK 0.0633 38 H18 -1.1076 4.1476 0.6917 H 1 UNK 0.0830 39 H19 -2.1559 -4.8562 -0.9561 H 1 UNK 0.0660 40 H20 -1.3094 -4.0240 0.3260 H 1 UNK 0.0660 41 H21 -0.8383 -3.7740 -1.3380 H 1 UNK 0.0660 @BOND 1 1 14 1 2 1 19 1 3 2 5 1 4 2 9 1 5 3 10 1 6 4 11 ar 7 4 18 ar 8 5 6 1 9 5 8 1 10 6 7 1 11 7 10 1 12 9 11 ar 13 9 12 ar 14 11 13 ar 15 12 14 ar 16 13 15 ar 17 13 16 ar 18 14 15 ar 19 16 17 ar 20 17 18 ar 21 2 20 1 22 3 21 1 23 3 22 1 24 3 23 1 25 5 24 1 26 6 25 1 27 6 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 10 33 1 35 12 34 1 36 15 35 1 37 16 36 1 38 17 37 1 39 18 38 1 40 19 39 1 41 19 40 1 42 19 41 1