@MOLECULE FDBD00927 98 101 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.4445 -3.9597 1.6321 F 1 UNK -0.2455 2 O -3.1837 3.9132 1.6928 O.3 1 UNK -0.3915 3 O1 -6.0487 2.9382 -2.0065 O.3 1 UNK -0.3913 4 O2 3.2498 0.9488 -1.8221 O.2 1 UNK -0.2753 5 O3 -7.0637 -0.9248 -0.6233 O.co2 1 UNK -0.5497 6 O4 -5.8114 -0.1372 -2.3621 O.co2 1 UNK -0.5497 7 N -0.2819 0.8476 0.7722 N.4 1 UNK 0.2408 8 N1 4.0793 0.5986 0.3300 N.am 1 UNK -0.3120 9 C 0.8923 1.4455 0.3953 C.3 1 UNK -0.0065 10 C1 -1.4202 1.5450 1.3594 C.3 1 UNK -0.0290 11 C2 -0.2182 -0.4959 0.5083 C.3 1 UNK -0.0137 12 C3 1.1180 2.8986 0.5579 C.3 1 UNK -0.0028 13 C4 -2.4234 2.0665 0.3226 C.3 1 UNK 0.0136 14 C5 1.7181 0.4689 -0.1160 C.3 1 UNK 0.0866 15 C6 1.0155 -0.7594 -0.0444 C.3 1 UNK 0.0214 16 C7 -3.6328 2.7875 0.9348 C.3 1 UNK 0.0624 17 C8 -4.6301 3.2992 -0.1127 C.3 1 UNK -0.0002 18 C9 -1.3169 -1.3954 0.8005 C.3 1 UNK 0.0026 19 C10 2.2846 3.2272 1.5178 C.3 1 UNK -0.0575 20 C11 1.3366 3.6318 -0.7856 C.3 1 UNK -0.0575 21 C12 1.4396 -2.0717 -0.4494 C.3 1 UNK -0.0322 22 C13 -5.1990 2.2528 -1.0808 C.3 1 UNK 0.0626 23 C14 3.0436 0.7036 -0.6179 C.2 1 UNK 0.2222 24 C15 -2.2975 -1.6345 -0.1624 C.3 1 UNK -0.0425 25 C16 -1.3928 -2.0227 2.0441 C.3 1 UNK -0.0425 26 C17 -6.0382 1.1806 -0.3869 C.3 1 UNK 0.0130 27 C18 2.0976 -2.9030 0.4572 C.3 1 UNK -0.0497 28 C19 1.1932 -2.5142 -1.7492 C.3 1 UNK -0.0497 29 C20 -3.3540 -2.5009 0.1185 C.3 1 UNK -0.0213 30 C21 -2.4492 -2.8890 2.3249 C.3 1 UNK -0.0213 31 C22 2.5094 -4.1763 0.0641 C.3 1 UNK -0.0528 32 C23 1.6049 -3.7878 -2.1422 C.3 1 UNK -0.0528 33 C24 -3.4298 -3.1282 1.3621 C.3 1 UNK 0.1010 34 C25 5.4771 0.7374 0.1398 C.3 1 UNK 0.0231 35 C26 2.2630 -4.6188 -1.2354 C.3 1 UNK -0.0530 36 C27 -6.3250 -0.0825 -1.2116 C.2 1 UNK 0.0442 37 C28 5.9837 1.0171 -1.1295 C.3 1 UNK -0.0345 38 C29 6.3461 0.5952 1.2217 C.3 1 UNK -0.0345 39 C30 7.3591 1.1542 -1.3169 C.3 1 UNK -0.0514 40 C31 7.7215 0.7324 1.0341 C.3 1 UNK -0.0514 41 C32 8.2280 1.0120 -0.2352 C.3 1 UNK -0.0529 42 H -2.5497 3.6182 2.3651 H 1 UNK 0.2098 43 H1 -5.5405 3.6269 -2.4630 H 1 UNK 0.2098 44 H2 -1.0968 1.2841 1.2032 H 1 UNK 0.2039 45 H3 3.7935 0.4018 1.2513 H 1 UNK 0.1490 46 H4 1.4686 2.3439 0.3199 H 1 UNK 0.0861 47 H5 -1.0529 2.3772 1.9229 H 1 UNK 0.0815 48 H6 -1.9403 0.8371 1.9703 H 1 UNK 0.0815 49 H7 -0.7282 -1.4357 0.5485 H 1 UNK 0.0857 50 H8 0.2104 3.2593 0.9950 H 1 UNK 0.0350 51 H9 -2.7805 1.2351 -0.2485 H 1 UNK 0.0342 52 H10 -1.9047 2.7847 -0.2775 H 1 UNK 0.0342 53 H11 2.7046 0.4376 -0.5293 H 1 UNK 0.0455 54 H12 1.5998 -1.5691 -0.4290 H 1 UNK 0.0368 55 H13 -4.1335 2.0656 1.5457 H 1 UNK 0.0596 56 H14 -4.1348 4.0471 -0.6959 H 1 UNK 0.0315 57 H15 -5.4701 3.6571 0.4452 H 1 UNK 0.0315 58 H16 -1.9479 -0.6194 1.1808 H 1 UNK 0.0356 59 H17 3.2028 2.8737 1.0973 H 1 UNK 0.0234 60 H18 2.1165 2.7492 2.4602 H 1 UNK 0.0234 61 H19 2.3419 4.2861 1.6602 H 1 UNK 0.0234 62 H20 2.2413 3.2838 -1.2387 H 1 UNK 0.0234 63 H21 1.4078 4.6848 -0.6098 H 1 UNK 0.0234 64 H22 0.5119 3.4341 -1.4381 H 1 UNK 0.0234 65 H23 1.3880 -1.1728 0.1288 H 1 UNK 0.0306 66 H24 -4.3723 1.7614 -1.5498 H 1 UNK 0.0598 67 H25 -1.7966 -2.0269 -1.0226 H 1 UNK 0.0271 68 H26 -2.7789 -0.6844 -0.2644 H 1 UNK 0.0271 69 H27 -1.4258 -1.2466 2.7800 H 1 UNK 0.0271 70 H28 -0.5388 -2.6673 2.0469 H 1 UNK 0.0271 71 H29 -6.9773 1.6196 -0.1218 H 1 UNK 0.0350 72 H30 -5.4576 0.8546 0.4507 H 1 UNK 0.0350 73 H31 1.4386 -3.0349 1.2898 H 1 UNK 0.0268 74 H32 3.0198 -2.3906 0.6360 H 1 UNK 0.0268 75 H33 1.6698 -1.8186 -2.4079 H 1 UNK 0.0268 76 H34 0.1258 -2.5775 -1.7893 H 1 UNK 0.0268 77 H35 -3.3211 -3.2769 -0.6174 H 1 UNK 0.0293 78 H36 -4.2080 -1.8563 0.1157 H 1 UNK 0.0293 79 H37 -2.9501 -2.4966 3.1851 H 1 UNK 0.0293 80 H38 -1.9677 -3.8391 2.4269 H 1 UNK 0.0293 81 H39 2.0330 -4.8720 0.7228 H 1 UNK 0.0265 82 H40 3.5768 -4.1128 0.1040 H 1 UNK 0.0265 83 H41 2.2638 -3.6562 -2.9749 H 1 UNK 0.0265 84 H42 0.6827 -4.3002 -2.3209 H 1 UNK 0.0265 85 H43 -2.8932 -3.8588 0.7937 H 1 UNK 0.0651 86 H44 5.4605 -0.3096 0.3600 H 1 UNK 0.0498 87 H45 1.6773 -5.5104 -1.1523 H 1 UNK 0.0265 88 H46 3.2435 -4.7116 -1.6537 H 1 UNK 0.0265 89 H47 5.5358 1.9362 -1.4452 H 1 UNK 0.0283 90 H48 5.7459 0.1364 -1.6887 H 1 UNK 0.0283 91 H49 6.1850 -0.3845 1.6207 H 1 UNK 0.0283 92 H50 6.0989 1.4276 1.8469 H 1 UNK 0.0283 93 H51 7.5203 2.1339 -1.7159 H 1 UNK 0.0266 94 H52 7.6063 0.3217 -1.9419 H 1 UNK 0.0266 95 H53 8.1695 -0.1866 1.3498 H 1 UNK 0.0266 96 H54 7.9592 1.6132 1.5932 H 1 UNK 0.0266 97 H55 8.7739 1.9288 -0.1549 H 1 UNK 0.0265 98 H56 8.7818 0.1295 -0.4789 H 1 UNK 0.0265 @BOND 1 1 33 1 2 2 16 1 3 3 22 1 4 4 23 2 5 5 36 ar 6 6 36 ar 7 7 9 1 8 7 10 1 9 7 11 1 10 8 23 am 11 8 34 1 12 9 12 1 13 9 14 1 14 10 13 1 15 11 15 1 16 11 18 1 17 12 19 1 18 12 20 1 19 13 16 1 20 14 15 1 21 14 23 1 22 15 21 1 23 16 17 1 24 17 22 1 25 18 24 1 26 18 25 1 27 21 27 1 28 21 28 1 29 22 26 1 30 24 29 1 31 25 30 1 32 26 36 1 33 27 31 1 34 28 32 1 35 29 33 1 36 30 33 1 37 31 35 1 38 32 35 1 39 34 37 1 40 34 38 1 41 37 39 1 42 38 40 1 43 39 41 1 44 40 41 1 45 2 42 1 46 3 43 1 47 7 44 1 48 8 45 1 49 9 46 1 50 10 47 1 51 10 48 1 52 11 49 1 53 12 50 1 54 13 51 1 55 13 52 1 56 14 53 1 57 15 54 1 58 16 55 1 59 17 56 1 60 17 57 1 61 18 58 1 62 19 59 1 63 19 60 1 64 19 61 1 65 20 62 1 66 20 63 1 67 20 64 1 68 21 65 1 69 22 66 1 70 24 67 1 71 24 68 1 72 25 69 1 73 25 70 1 74 26 71 1 75 26 72 1 76 27 73 1 77 27 74 1 78 28 75 1 79 28 76 1 80 29 77 1 81 29 78 1 82 30 79 1 83 30 80 1 84 31 81 1 85 31 82 1 86 32 83 1 87 32 84 1 88 33 85 1 89 34 86 1 90 35 87 1 91 35 88 1 92 37 89 1 93 37 90 1 94 38 91 1 95 38 92 1 96 39 93 1 97 39 94 1 98 40 95 1 99 40 96 1 100 41 97 1 101 41 98 1