@MOLECULE FDBD00324 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5253 -1.0804 0.4009 O.3 1 UNK -0.4217 2 O1 -1.9348 1.0163 -0.7584 O.3 1 UNK -0.4217 3 O2 3.7740 1.4944 1.7664 O.3 1 UNK -0.3819 4 O3 0.9431 -2.1856 -1.0338 O.2 1 UNK -0.2498 5 O4 -2.3625 1.8542 1.3761 O.2 1 UNK -0.2498 6 N 5.8426 0.6568 -0.0552 N.4 1 UNK 0.2269 7 C -0.7622 -3.4806 0.1506 C.3 1 UNK 0.0598 8 C1 -4.2234 1.2472 -0.0924 C.3 1 UNK 0.0598 9 C2 2.1158 1.4234 0.0576 C.ar 1 UNK -0.0104 10 C3 3.5705 1.5744 0.3493 C.3 1 UNK 0.1198 11 C4 -0.6593 -3.6775 1.6717 C.3 1 UNK -0.0499 12 C5 -0.1428 -4.6959 -0.5520 C.3 1 UNK -0.0499 13 C6 -2.2401 -3.3331 -0.2342 C.3 1 UNK -0.0499 14 C7 0.0005 -2.2125 -0.2513 C.2 1 UNK 0.3179 15 C8 -4.5242 2.0916 -1.3413 C.3 1 UNK -0.0499 16 C9 -5.1186 1.7245 1.0588 C.3 1 UNK -0.0499 17 C10 -4.4982 -0.2284 -0.4102 C.3 1 UNK -0.0499 18 C11 -2.7507 1.4213 0.2974 C.2 1 UNK 0.3179 19 C12 0.1017 0.0895 0.0943 C.ar 1 UNK 0.1741 20 C13 -0.5720 1.1447 -0.4807 C.ar 1 UNK 0.1738 21 C14 1.4625 0.2305 0.3667 C.ar 1 UNK -0.0097 22 C15 4.4210 0.4976 -0.3533 C.3 1 UNK -0.0030 23 C16 1.4085 2.4755 -0.5241 C.ar 1 UNK -0.0522 24 C17 0.0477 2.3344 -0.7969 C.ar 1 UNK -0.0152 25 C18 6.6261 -0.3823 -0.7060 C.3 1 UNK -0.0448 26 H 3.2389 2.1719 2.2086 H 1 UNK 0.2105 27 H1 5.9814 0.5980 0.9536 H 1 UNK 0.2012 28 H2 6.1502 1.5648 -0.4034 H 1 UNK 0.2012 29 H3 3.8840 2.5263 -0.0256 H 1 UNK 0.0698 30 H4 -1.1911 -4.5621 1.9536 H 1 UNK 0.0240 31 H5 -1.0844 -2.8316 2.1704 H 1 UNK 0.0240 32 H6 0.3692 -3.7758 1.9499 H 1 UNK 0.0240 33 H7 -0.6756 -5.5802 -0.2710 H 1 UNK 0.0240 34 H8 0.8830 -4.7905 -0.2629 H 1 UNK 0.0240 35 H9 -0.2039 -4.5644 -1.6121 H 1 UNK 0.0240 36 H10 -2.7718 -4.2182 0.0465 H 1 UNK 0.0240 37 H11 -2.3207 -3.1887 -1.2913 H 1 UNK 0.0240 38 H12 -2.6585 -2.4895 0.2739 H 1 UNK 0.0240 39 H13 -5.5517 1.9710 -1.6144 H 1 UNK 0.0240 40 H14 -3.9004 1.7691 -2.1486 H 1 UNK 0.0240 41 H15 -4.3299 3.1224 -1.1302 H 1 UNK 0.0240 42 H16 -6.1460 1.6026 0.7858 H 1 UNK 0.0240 43 H17 -4.9227 2.7573 1.2583 H 1 UNK 0.0240 44 H18 -4.9114 1.1464 1.9350 H 1 UNK 0.0240 45 H19 -5.5260 -0.3493 -0.6821 H 1 UNK 0.0240 46 H20 -4.2849 -0.8247 0.4523 H 1 UNK 0.0240 47 H21 -3.8753 -0.5403 -1.2224 H 1 UNK 0.0240 48 H22 1.9859 -0.5479 0.7970 H 1 UNK 0.0659 49 H23 4.1024 -0.4683 -0.0208 H 1 UNK 0.0843 50 H24 4.2866 0.6013 -1.4098 H 1 UNK 0.0843 51 H25 1.8918 3.3582 -0.7527 H 1 UNK 0.0622 52 H26 -0.4849 3.1064 -1.2274 H 1 UNK 0.0656 53 H27 6.3131 -1.3412 -0.3492 H 1 UNK 0.0777 54 H28 7.6628 -0.2397 -0.4829 H 1 UNK 0.0777 55 H29 6.4785 -0.3301 -1.7645 H 1 UNK 0.0777 @BOND 1 1 14 1 2 1 19 1 3 2 18 1 4 2 20 1 5 3 10 1 6 4 14 2 7 5 18 2 8 6 22 1 9 6 25 1 10 7 11 1 11 7 12 1 12 7 13 1 13 7 14 1 14 8 15 1 15 8 16 1 16 8 17 1 17 8 18 1 18 9 10 1 19 9 21 ar 20 9 23 ar 21 10 22 1 22 19 20 ar 23 19 21 ar 24 20 24 ar 25 23 24 ar 26 3 26 1 27 6 27 1 28 6 28 1 29 10 29 1 30 11 30 1 31 11 31 1 32 11 32 1 33 12 33 1 34 12 34 1 35 12 35 1 36 13 36 1 37 13 37 1 38 13 38 1 39 15 39 1 40 15 40 1 41 15 41 1 42 16 42 1 43 16 43 1 44 16 44 1 45 17 45 1 46 17 46 1 47 17 47 1 48 21 48 1 49 22 49 1 50 22 50 1 51 23 51 1 52 24 52 1 53 25 53 1 54 25 54 1 55 25 55 1