@MOLECULE 118796518 61 65 1 SMALL USER_CHARGES @ATOM 1 F1 -13.5219 -6.8535 2.6183 F 1 noname -0.1661 2 F2 -11.3942 -6.9773 3.3037 F 1 noname -0.1661 3 F3 -12.9320 -8.3532 4.1724 F 1 noname -0.1661 4 O1 -10.5363 -13.0234 -0.0716 O.2 1 noname -0.2776 5 O2 -10.2443 -5.3051 -3.8242 O.3 1 noname -0.2100 6 O3 -9.7729 -6.7445 -5.4911 O.2 1 noname -0.2468 7 N1 -11.0808 -8.8425 -1.7113 N.3 1 noname 0.0121 8 N2 -12.1579 -12.3336 1.4712 N.3 1 noname -0.1379 9 N3 -10.2173 -17.8278 0.1048 N.3 1 noname 0.0310 10 N4 -10.3923 -8.9347 -3.8508 N.2 1 noname -0.2056 11 N5 -10.1985 -19.1617 -1.8391 N.2 1 noname -0.2179 12 N6 -12.0255 -17.7640 -1.4596 N.2 1 noname -0.2311 13 N7 -9.6426 -21.5121 -5.9357 N.2 1 noname -0.2467 14 C1 -11.5312 -9.1829 -0.4078 C.2 1 noname -0.0064 15 C2 -12.1176 -11.0201 1.1811 C.2 1 noname -0.0125 16 C3 -12.2470 -8.6763 1.9878 C.2 1 noname -0.0026 17 C4 -11.7304 -10.5592 -0.1105 C.2 1 noname -0.0256 18 C5 -11.8041 -8.2735 0.6856 C.2 1 noname -0.0192 19 C6 -12.3996 -10.0731 2.2091 C.2 1 noname -0.0241 20 C7 -11.6219 -14.6769 1.1959 C.2 1 noname -0.0211 21 C8 -10.8702 -16.9469 0.8864 C.2 1 noname -0.0207 22 C9 -11.8554 -17.3976 1.8226 C.2 1 noname -0.0302 23 C10 -10.7157 -15.5701 0.5827 C.2 1 noname -0.0087 24 C11 -11.3787 -13.3211 0.8026 C.2 1 noname 0.0833 25 C12 -12.6513 -15.1203 2.0876 C.2 1 noname -0.0327 26 C13 -12.7675 -16.4925 2.4314 C.2 1 noname -0.0516 27 C14 -12.5281 -7.7002 3.0365 C.3 1 noname 0.4162 28 C15 -10.8702 -7.5938 -2.1771 C.2 1 noname -0.0047 29 C16 -10.7670 -9.6444 -2.7761 C.2 1 noname -0.0224 30 C17 -11.9249 -18.8166 2.1591 C.3 1 noname 0.0055 31 C18 -10.4487 -7.6471 -3.5010 C.2 1 noname 0.0631 32 C19 -10.8056 -18.2420 -1.0483 C.2 1 noname 0.0896 33 C20 -10.7941 -19.5888 -2.9904 C.2 1 noname 0.0302 34 C21 -10.1425 -6.5600 -4.3113 C.2 1 noname 0.1184 35 C22 -10.1286 -20.5401 -3.7865 C.2 1 noname 0.0043 36 C23 -12.0583 -19.0942 -3.3957 C.2 1 noname -0.0140 37 C24 -12.6667 -18.1422 -2.5837 C.2 1 noname 0.0135 38 C25 -9.2535 -21.5087 -3.1665 C.2 1 noname -0.0159 39 C26 -10.3036 -20.5597 -5.2133 C.2 1 noname 0.0221 40 C27 -8.5686 -22.4868 -3.9496 C.2 1 noname -0.0188 41 C28 -8.8055 -22.4421 -5.3551 C.2 1 noname 0.0040 42 H1 -11.5903 -11.2449 -0.8525 H 1 noname 0.0659 43 H2 -11.6718 -7.2762 0.5172 H 1 noname 0.0648 44 H3 -12.7167 -10.4036 3.1205 H 1 noname 0.0645 45 H4 -12.7539 -12.6257 2.1786 H 1 noname 0.1374 46 H5 -9.9851 -15.2408 -0.0483 H 1 noname 0.0647 47 H6 -13.3067 -14.4439 2.4792 H 1 noname 0.0630 48 H7 -13.4769 -16.8163 3.0889 H 1 noname 0.0626 49 H8 -11.0007 -6.7379 -1.6379 H 1 noname 0.0821 50 H9 -10.8130 -10.6632 -2.7544 H 1 noname 0.1019 51 H10 -9.3282 -17.4915 -0.0885 H 1 noname 0.1373 52 H11 -11.7595 -18.9449 3.2288 H 1 noname 0.0280 53 H12 -12.9084 -19.2050 1.8944 H 1 noname 0.0280 54 H13 -11.1589 -19.3593 1.6053 H 1 noname 0.0280 55 H14 -12.5058 -19.4238 -4.2509 H 1 noname 0.0661 56 H15 -13.5716 -17.7420 -2.8316 H 1 noname 0.0841 57 H16 -9.1231 -21.4935 -2.1549 H 1 noname 0.0630 58 H17 -10.9066 -19.8788 -5.6750 H 1 noname 0.0846 59 H18 -7.9465 -23.1768 -3.5285 H 1 noname 0.0638 60 H19 -10.4661 -4.5629 -4.4246 H 1 noname 0.2217 61 H20 -8.3384 -23.1233 -5.9536 H 1 noname 0.0839 @BOND 1 1 27 1 2 2 27 1 3 3 27 1 4 4 24 2 5 5 34 1 6 5 60 1 7 6 34 2 8 7 14 1 9 7 28 1 10 7 29 1 11 8 15 1 12 8 24 1 13 8 45 1 14 9 21 1 15 9 32 1 16 9 51 1 17 10 29 2 18 10 31 1 19 11 32 1 20 11 33 2 21 12 32 2 22 12 37 1 23 13 39 1 24 13 41 2 25 14 17 1 26 14 18 2 27 15 17 2 28 15 19 1 29 16 18 1 30 16 19 2 31 16 27 1 32 17 42 1 33 18 43 1 34 19 44 1 35 20 23 2 36 20 24 1 37 20 25 1 38 21 22 2 39 21 23 1 40 22 26 1 41 22 30 1 42 23 46 1 43 25 26 2 44 25 47 1 45 26 48 1 46 28 31 2 47 28 49 1 48 29 50 1 49 30 52 1 50 30 53 1 51 30 54 1 52 31 34 1 53 33 35 1 54 33 36 1 55 35 38 1 56 35 39 2 57 36 37 2 58 36 55 1 59 37 56 1 60 38 40 2 61 38 57 1 62 39 58 1 63 40 41 1 64 40 59 1 65 41 61 1 @SUBSTRUCTURE 1 noname 1