@MOLECULE FDBD01592 64 65 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.9580 -1.7951 -1.7050 O.3 1 UNK -0.3819 2 O1 -6.9484 1.7264 -1.7691 O.3 1 UNK -0.3819 3 O2 10.2820 2.0640 -0.6837 O.3 1 UNK -0.5033 4 O3 -10.2715 -2.0936 -0.6080 O.3 1 UNK -0.5033 5 O4 11.5356 0.9758 1.5460 O.3 1 UNK -0.5033 6 O5 -11.5402 -0.9165 1.5672 O.3 1 UNK -0.5033 7 N 4.2854 -0.9127 -0.4584 N.4 1 UNK 0.2291 8 N1 -4.2813 0.9021 -0.4713 N.4 1 UNK 0.2291 9 C 0.6627 0.3268 -0.4985 C.3 1 UNK -0.0481 10 C1 -0.6947 -0.3793 -0.4669 C.3 1 UNK -0.0481 11 C2 1.8513 -0.6397 -0.5056 C.3 1 UNK -0.0126 12 C3 -1.8455 0.6302 -0.4926 C.3 1 UNK -0.0126 13 C4 3.2051 0.0681 -0.4589 C.3 1 UNK -0.0336 14 C5 -3.1994 -0.0743 -0.4248 C.3 1 UNK -0.0336 15 C6 5.5831 -0.2543 -0.4245 C.3 1 UNK -0.0028 16 C7 -5.5785 0.2429 -0.4176 C.3 1 UNK -0.0028 17 C8 6.7176 -1.2859 -0.3939 C.3 1 UNK 0.1198 18 C9 -6.7148 1.2726 -0.4364 C.3 1 UNK 0.1198 19 C10 8.0044 -0.6795 0.1214 C.ar 1 UNK -0.0104 20 C11 -8.0036 0.6855 0.0959 C.ar 1 UNK -0.0104 21 C12 8.5616 0.4255 -0.5221 C.ar 1 UNK -0.0107 22 C13 -8.5550 -0.4464 -0.5046 C.ar 1 UNK -0.0107 23 C14 8.6335 -1.2255 1.2402 C.ar 1 UNK -0.0523 24 C15 -8.6403 1.2761 1.1874 C.ar 1 UNK -0.0523 25 C16 9.7478 0.9848 -0.0467 C.ar 1 UNK 0.1586 26 C17 -9.7430 -0.9879 -0.0133 C.ar 1 UNK 0.1586 27 C18 9.8198 -0.6664 1.7154 C.ar 1 UNK -0.0162 28 C19 -9.8285 0.7347 1.6784 C.ar 1 UNK -0.0162 29 C20 10.3769 0.4388 1.0720 C.ar 1 UNK 0.1582 30 C21 -10.3798 -0.3973 1.0781 C.ar 1 UNK 0.1582 31 H 6.1429 -2.1889 -2.0534 H 1 UNK 0.2105 32 H1 -6.1320 2.1071 -2.1288 H 1 UNK 0.2105 33 H2 9.8529 2.4246 -1.4346 H 1 UNK 0.2923 34 H3 -9.8373 -2.4842 -1.3407 H 1 UNK 0.2923 35 H4 11.9166 1.7182 1.1198 H 1 UNK 0.2923 36 H5 -11.9174 -1.6767 1.1700 H 1 UNK 0.2923 37 H6 4.2210 -1.4811 -1.3029 H 1 UNK 0.2014 38 H7 4.1945 -1.4979 0.3721 H 1 UNK 0.2014 39 H8 -4.2131 1.4351 -1.3383 H 1 UNK 0.2014 40 H9 -4.1966 1.5211 0.3349 H 1 UNK 0.2014 41 H10 0.7396 0.9527 0.3659 H 1 UNK 0.0267 42 H11 0.7060 0.8874 -1.4089 H 1 UNK 0.0267 43 H12 -0.7632 -0.9638 0.4267 H 1 UNK 0.0267 44 H13 -0.7721 -1.0030 -1.3329 H 1 UNK 0.0267 45 H14 1.8059 -1.2276 -1.3985 H 1 UNK 0.0317 46 H15 1.7769 -1.2407 0.3765 H 1 UNK 0.0317 47 H16 -1.7921 1.1975 -1.3983 H 1 UNK 0.0317 48 H17 -1.7536 1.2708 0.3595 H 1 UNK 0.0317 49 H18 3.3028 0.7014 -1.3158 H 1 UNK 0.0814 50 H19 3.2633 0.6528 0.4353 H 1 UNK 0.0814 51 H20 -3.2914 -0.7427 -1.2552 H 1 UNK 0.0814 52 H21 -3.2622 -0.6196 0.4937 H 1 UNK 0.0814 53 H22 5.6426 0.3584 0.4507 H 1 UNK 0.0843 54 H23 5.6872 0.3433 -1.3059 H 1 UNK 0.0843 55 H24 -5.6421 -0.3331 0.4819 H 1 UNK 0.0843 56 H25 -5.6764 -0.3910 -1.2740 H 1 UNK 0.0843 57 H26 6.4109 -2.0728 0.2630 H 1 UNK 0.0698 58 H27 -6.4133 2.0867 0.1891 H 1 UNK 0.0698 59 H28 8.0962 0.8293 -1.3500 H 1 UNK 0.0659 60 H29 -8.0840 -0.8832 -1.3123 H 1 UNK 0.0659 61 H30 8.2213 -2.0431 1.7164 H 1 UNK 0.0622 62 H31 -8.2324 2.1135 1.6317 H 1 UNK 0.0622 63 H32 10.2854 -1.0705 2.5431 H 1 UNK 0.0655 64 H33 -10.2997 1.1717 2.4859 H 1 UNK 0.0655 @BOND 1 1 17 1 2 2 18 1 3 3 25 1 4 4 26 1 5 5 29 1 6 6 30 1 7 7 13 1 8 7 15 1 9 8 14 1 10 8 16 1 11 9 10 1 12 9 11 1 13 10 12 1 14 11 13 1 15 12 14 1 16 15 17 1 17 16 18 1 18 17 19 1 19 18 20 1 20 19 21 ar 21 19 23 ar 22 20 22 ar 23 20 24 ar 24 21 25 ar 25 22 26 ar 26 23 27 ar 27 24 28 ar 28 25 29 ar 29 26 30 ar 30 27 29 ar 31 28 30 ar 32 1 31 1 33 2 32 1 34 3 33 1 35 4 34 1 36 5 35 1 37 6 36 1 38 7 37 1 39 7 38 1 40 8 39 1 41 8 40 1 42 9 41 1 43 9 42 1 44 10 43 1 45 10 44 1 46 11 45 1 47 11 46 1 48 12 47 1 49 12 48 1 50 13 49 1 51 13 50 1 52 14 51 1 53 14 52 1 54 15 53 1 55 15 54 1 56 16 55 1 57 16 56 1 58 17 57 1 59 18 58 1 60 21 59 1 61 22 60 1 62 23 61 1 63 24 62 1 64 27 63 1 65 28 64 1