@MOLECULE FDBD01028 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.0142 -0.0693 0.3275 O.3 1 UNK -0.4885 2 O1 4.7310 2.0675 0.7942 O.3 1 UNK -0.3831 3 O2 0.6801 -0.1078 1.6262 O.2 1 UNK -0.2919 4 N 1.3915 2.9365 -0.5482 N.4 1 UNK 0.2289 5 C 3.7209 2.1606 -0.2145 C.3 1 UNK 0.1285 6 C1 2.4915 2.8331 0.4009 C.3 1 UNK -0.0038 7 C2 3.4388 0.7589 -0.7507 C.3 1 UNK 0.1204 8 C3 0.2168 3.5280 0.0781 C.3 1 UNK -0.0338 9 C4 -1.0914 -1.2845 0.4917 C.3 1 UNK 0.0146 10 C5 -1.9549 -0.0229 0.5605 C.3 1 UNK -0.0207 11 C6 -0.9297 3.6190 -0.9258 C.3 1 UNK -0.0154 12 C7 1.4237 -1.8713 0.2598 C.ar 1 UNK 0.0590 13 C8 2.7020 -1.3667 0.0207 C.ar 1 UNK 0.1311 14 C9 0.3857 -1.0323 0.8425 C.2 1 UNK 0.1670 15 C10 -3.3937 -0.3132 0.2195 C.ar 1 UNK -0.0469 16 C11 1.1254 -3.1956 -0.0612 C.ar 1 UNK -0.0477 17 C12 3.6819 -2.1866 -0.5393 C.ar 1 UNK -0.0192 18 C13 -2.1630 4.2536 -0.3018 C.3 1 UNK -0.0605 19 C14 2.1053 -4.0151 -0.6214 C.ar 1 UNK -0.0609 20 C15 -3.8283 -0.2264 -1.1032 C.ar 1 UNK -0.0586 21 C16 -4.2911 -0.6695 1.2263 C.ar 1 UNK -0.0586 22 C17 3.3834 -3.5107 -0.8605 C.ar 1 UNK -0.0583 23 C18 -5.1600 -0.4954 -1.4191 C.ar 1 UNK -0.0615 24 C19 -5.6229 -0.9386 0.9103 C.ar 1 UNK -0.0615 25 C20 -6.0572 -0.8515 -0.4124 C.ar 1 UNK -0.0617 26 H 4.9207 2.9520 1.1444 H 1 UNK 0.2102 27 H1 1.1549 2.0042 -0.8877 H 1 UNK 0.2014 28 H2 1.6838 3.5343 -1.3212 H 1 UNK 0.2014 29 H3 4.0309 2.7584 -1.0460 H 1 UNK 0.0681 30 H4 2.1681 2.2570 1.2426 H 1 UNK 0.0840 31 H5 2.7694 3.8243 0.6928 H 1 UNK 0.0840 32 H6 2.6691 0.8060 -1.4924 H 1 UNK 0.0725 33 H7 4.3253 0.3539 -1.1924 H 1 UNK 0.0725 34 H8 0.4595 4.5101 0.4267 H 1 UNK 0.0814 35 H9 -0.0872 2.9124 0.8988 H 1 UNK 0.0814 36 H10 -1.1420 -1.6766 -0.5026 H 1 UNK 0.0348 37 H11 -1.4760 -1.9712 1.2165 H 1 UNK 0.0348 38 H12 -1.5727 0.6971 -0.1326 H 1 UNK 0.0317 39 H13 -1.9185 0.3521 1.5620 H 1 UNK 0.0317 40 H14 -1.1772 2.6339 -1.2622 H 1 UNK 0.0314 41 H15 -0.6133 4.2308 -1.7446 H 1 UNK 0.0314 42 H16 0.1797 -3.5690 0.1158 H 1 UNK 0.0626 43 H17 4.6277 -1.8134 -0.7159 H 1 UNK 0.0654 44 H18 -2.4949 3.6548 0.5205 H 1 UNK 0.0232 45 H19 -2.9408 4.3167 -1.0339 H 1 UNK 0.0232 46 H20 -1.9210 5.2358 0.0470 H 1 UNK 0.0232 47 H21 1.8845 -4.9948 -0.8590 H 1 UNK 0.0618 48 H22 -3.1644 0.0369 -1.8481 H 1 UNK 0.0620 49 H23 -3.9698 -0.7340 2.2049 H 1 UNK 0.0620 50 H24 4.1083 -4.1171 -1.2751 H 1 UNK 0.0619 51 H25 -5.4814 -0.4309 -2.3977 H 1 UNK 0.0618 52 H26 -6.2869 -1.2021 1.6551 H 1 UNK 0.0618 53 H27 -7.0425 -1.0506 -0.6461 H 1 UNK 0.0618 @BOND 1 1 7 1 2 1 13 1 3 2 5 1 4 3 14 2 5 4 6 1 6 4 8 1 7 5 6 1 8 5 7 1 9 8 11 1 10 9 10 1 11 9 14 1 12 10 15 1 13 11 18 1 14 12 13 ar 15 12 14 1 16 12 16 ar 17 13 17 ar 18 15 20 ar 19 15 21 ar 20 16 19 ar 21 17 22 ar 22 19 22 ar 23 20 23 ar 24 21 24 ar 25 23 25 ar 26 24 25 ar 27 2 26 1 28 4 27 1 29 4 28 1 30 5 29 1 31 6 30 1 32 6 31 1 33 7 32 1 34 7 33 1 35 8 34 1 36 8 35 1 37 9 36 1 38 9 37 1 39 10 38 1 40 10 39 1 41 11 40 1 42 11 41 1 43 16 42 1 44 17 43 1 45 18 44 1 46 18 45 1 47 18 46 1 48 19 47 1 49 20 48 1 50 21 49 1 51 22 50 1 52 23 51 1 53 24 52 1 54 25 53 1