@MOLECULE FDBD00945 70 72 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.5484 -3.5223 0.2903 F 1 UNK -0.2455 2 O -0.6933 4.5411 -0.4748 O.3 1 UNK -0.3877 3 O1 -3.2713 1.6400 1.2959 O.3 1 UNK -0.3913 4 O2 -5.2762 -0.8953 -1.3219 O.co2 1 UNK -0.5497 5 O3 -5.2494 -0.2964 0.8686 O.co2 1 UNK -0.5497 6 N 2.7533 0.8675 0.2167 N.4 1 UNK 0.2445 7 C 3.3126 2.1973 0.3735 C.3 1 UNK -0.0258 8 C1 1.4454 0.5191 0.3289 C.3 1 UNK 0.0021 9 C2 3.4997 -0.2516 -0.0757 C.3 1 UNK -0.0167 10 C3 1.3123 -0.8177 0.1149 C.3 1 UNK 0.0166 11 C4 2.6143 -1.3294 -0.1455 C.3 1 UNK 0.0106 12 C5 0.4961 1.5473 0.6333 C.2 1 UNK -0.0376 13 C6 3.9563 2.7035 -0.9189 C.3 1 UNK -0.0218 14 C7 4.2822 2.2749 1.5542 C.3 1 UNK -0.0218 15 C8 0.0569 -1.5163 0.1603 C.3 1 UNK -0.0322 16 C9 4.8768 -0.3911 -0.2815 C.3 1 UNK -0.0094 17 C10 3.1261 -2.6099 -0.4346 C.3 1 UNK -0.0446 18 C11 -1.1862 3.3089 0.0456 C.3 1 UNK 0.0759 19 C12 -2.5524 2.9799 -0.5790 C.3 1 UNK 0.0032 20 C13 -0.1780 2.2444 -0.2957 C.2 1 UNK -0.0545 21 C14 -3.1227 1.6286 -0.1218 C.3 1 UNK 0.0629 22 C15 5.3615 -1.6707 -0.5669 C.3 1 UNK -0.0480 23 C16 4.5015 -2.7645 -0.6427 C.3 1 UNK -0.0524 24 C17 -0.3950 -2.0583 1.3626 C.3 1 UNK -0.0471 25 C18 -0.7070 -1.6507 -0.9983 C.3 1 UNK -0.0471 26 C19 -4.4608 1.2860 -0.7806 C.3 1 UNK 0.0130 27 C20 -1.6133 -2.7362 1.4065 C.3 1 UNK -0.0215 28 C21 -1.9253 -2.3286 -0.9542 C.3 1 UNK -0.0215 29 C22 -2.3785 -2.8713 0.2481 C.3 1 UNK 0.1010 30 C23 -5.0373 -0.0282 -0.3072 C.2 1 UNK 0.0442 31 H -1.3212 5.2520 -0.2719 H 1 UNK 0.2102 32 H1 -2.4208 1.8576 1.7084 H 1 UNK 0.2098 33 H2 2.9807 1.8519 0.3565 H 1 UNK 0.2045 34 H3 2.4948 2.8509 0.5946 H 1 UNK 0.0846 35 H4 0.3859 0.5621 0.4723 H 1 UNK 0.0901 36 H5 4.5203 0.0591 -0.1573 H 1 UNK 0.0854 37 H6 0.5496 -1.5674 0.0826 H 1 UNK 0.0366 38 H7 2.2459 -2.3262 -0.2700 H 1 UNK 0.0360 39 H8 0.3194 1.7657 1.6263 H 1 UNK 0.0626 40 H9 4.7825 2.0741 -1.1762 H 1 UNK 0.0284 41 H10 4.3025 3.7058 -0.7761 H 1 UNK 0.0284 42 H11 3.2341 2.6846 -1.7082 H 1 UNK 0.0284 43 H12 5.1183 1.6325 1.3719 H 1 UNK 0.0284 44 H13 3.7819 1.9643 2.4476 H 1 UNK 0.0284 45 H14 4.6246 3.2821 1.6689 H 1 UNK 0.0284 46 H15 -0.8466 -2.0817 0.2551 H 1 UNK 0.0306 47 H16 5.3692 -0.0528 0.6062 H 1 UNK 0.0320 48 H17 5.0792 0.1795 -1.1638 H 1 UNK 0.0320 49 H18 2.6354 -2.9495 -1.3228 H 1 UNK 0.0270 50 H19 2.9400 -3.1663 0.4602 H 1 UNK 0.0270 51 H20 -1.3212 3.3691 1.1053 H 1 UNK 0.0638 52 H21 -2.4427 2.9592 -1.6432 H 1 UNK 0.0318 53 H22 -3.2371 3.7367 -0.2577 H 1 UNK 0.0318 54 H23 0.0038 2.0407 -1.2909 H 1 UNK 0.0596 55 H24 -2.4300 0.8718 -0.4256 H 1 UNK 0.0598 56 H25 6.0792 -1.9003 0.1928 H 1 UNK 0.0267 57 H26 5.7054 -1.5720 -1.5753 H 1 UNK 0.0267 58 H27 4.6174 -3.1766 -1.6233 H 1 UNK 0.0265 59 H28 4.8026 -3.3619 0.1924 H 1 UNK 0.0265 60 H29 -0.4662 -1.2491 2.0591 H 1 UNK 0.0269 61 H30 0.3214 -2.8250 1.5721 H 1 UNK 0.0269 62 H31 -0.0959 -2.1594 -1.7143 H 1 UNK 0.0269 63 H32 -0.9928 -0.6444 -1.2234 H 1 UNK 0.0269 64 H33 -4.3148 1.2318 -1.8392 H 1 UNK 0.0350 65 H34 -5.1548 2.0540 -0.5098 H 1 UNK 0.0350 66 H35 -2.2242 -2.2274 2.1226 H 1 UNK 0.0293 67 H36 -1.3268 -3.7425 1.6307 H 1 UNK 0.0293 68 H37 -1.8539 -3.1377 -1.6508 H 1 UNK 0.0293 69 H38 -2.6413 -1.5613 -1.1630 H 1 UNK 0.0293 70 H39 -3.3210 -2.3919 0.4121 H 1 UNK 0.0651 @BOND 1 1 29 1 2 2 18 1 3 3 21 1 4 4 30 ar 5 5 30 ar 6 6 7 1 7 6 8 1 8 6 9 1 9 7 13 1 10 7 14 1 11 8 10 1 12 8 12 1 13 9 11 1 14 9 16 1 15 10 11 1 16 10 15 1 17 11 17 1 18 12 20 2 19 15 24 1 20 15 25 1 21 16 22 1 22 17 23 1 23 18 19 1 24 18 20 1 25 19 21 1 26 21 26 1 27 22 23 1 28 24 27 1 29 25 28 1 30 26 30 1 31 27 29 1 32 28 29 1 33 2 31 1 34 3 32 1 35 6 33 1 36 7 34 1 37 8 35 1 38 9 36 1 39 10 37 1 40 11 38 1 41 12 39 1 42 13 40 1 43 13 41 1 44 13 42 1 45 14 43 1 46 14 44 1 47 14 45 1 48 15 46 1 49 16 47 1 50 16 48 1 51 17 49 1 52 17 50 1 53 18 51 1 54 19 52 1 55 19 53 1 56 20 54 1 57 21 55 1 58 22 56 1 59 22 57 1 60 23 58 1 61 23 59 1 62 24 60 1 63 24 61 1 64 25 62 1 65 25 63 1 66 26 64 1 67 26 65 1 68 27 66 1 69 27 67 1 70 28 68 1 71 28 69 1 72 29 70 1