@MOLECULE 116083 69 72 1 SMALL USER_CHARGES @ATOM 1 F1 3.8664 -0.0348 2.1435 F 1 noname -0.1661 2 C1 3.2020 -1.0442 2.7909 C.3 1 noname 0.4168 3 F2 3.2373 -2.1801 2.0240 F 1 noname -0.1661 4 F3 3.8056 -1.2884 3.9974 F 1 noname -0.1661 5 C2 1.8139 -0.6494 3.0123 C.2 1 noname 0.0384 6 C3 1.4264 0.0347 4.1987 C.2 1 noname 0.0328 7 C4 0.8107 -0.9359 2.0518 C.2 1 noname 0.0169 8 C5 2.5211 0.3343 5.1400 C.2 1 noname 0.0250 9 C6 0.0744 0.4118 4.4896 C.2 1 noname -0.0010 10 C7 -0.5536 -0.5578 2.2739 C.2 1 noname -0.0050 11 O1 2.9351 -0.5645 5.9037 O.2 1 noname -0.2935 12 N1 3.1474 1.6944 5.1997 N.3 1 noname -0.0667 13 C8 -0.9202 0.1188 3.5089 C.2 1 noname -0.0143 14 C9 -1.5393 -0.8294 1.2460 C.2 1 noname 0.0475 15 C10 3.4404 2.0707 6.6155 C.3 1 noname 0.0065 16 C11 2.5943 2.8379 4.3949 C.3 1 noname 0.0065 17 N2 -2.5847 0.0607 1.2081 N.2 1 noname -0.2228 18 C12 -1.5149 -1.9072 0.2840 C.2 1 noname 0.0401 19 C13 2.1578 2.5331 7.3768 C.3 1 noname -0.0343 20 C14 1.3130 3.4827 5.0115 C.3 1 noname -0.0343 21 C15 -3.6262 -0.0132 0.3286 C.2 1 noname 0.0453 22 C16 -0.6135 -2.8664 0.1285 C.1 1 noname -0.0101 23 C17 -2.5996 -1.9647 -0.6078 C.2 1 noname 0.0369 24 C18 1.3784 3.6157 6.5676 C.3 1 noname -0.0105 25 N3 -3.6017 -1.0445 -0.5642 N.2 1 noname -0.2314 26 C19 0.1857 -3.7537 -0.0456 C.1 1 noname -0.0269 27 C20 -2.6527 -3.0332 -1.6013 C.3 1 noname 0.0467 28 C21 -0.0389 3.7493 7.1280 C.3 1 noname 0.0622 29 C22 1.0757 -4.7269 -0.2233 C.2 1 noname -0.0258 30 C23 -3.9206 -3.8633 -1.3903 C.3 1 noname -0.0597 31 O2 0.0263 4.1346 8.4932 O.3 1 noname -0.3900 32 C24 -0.7623 2.4062 7.0111 C.3 1 noname -0.0361 33 C25 -0.8032 4.8110 6.3345 C.3 1 noname -0.0361 34 C26 2.3183 -4.6968 0.4835 C.2 1 noname 0.0129 35 C27 0.8180 -5.8220 -1.1146 C.2 1 noname -0.0243 36 N4 3.2052 -5.7332 0.2640 N.2 1 noname -0.2633 37 C28 1.7488 -6.8813 -1.3256 C.2 1 noname -0.0315 38 C29 2.9645 -6.7902 -0.5921 C.2 1 noname 0.0173 39 N5 3.8923 -7.7466 -0.7343 N.3 1 noname -0.1209 40 H1 1.0911 -1.4519 1.1335 H 1 noname 0.0636 41 H2 -0.1885 0.9049 5.4254 H 1 noname 0.0631 42 H3 -1.9528 0.4097 3.7018 H 1 noname 0.0629 43 H4 3.7824 1.1531 7.0941 H 1 noname 0.0435 44 H5 4.1037 2.9335 6.5544 H 1 noname 0.0435 45 H6 3.3696 3.6037 4.4192 H 1 noname 0.0435 46 H7 2.2933 2.3970 3.4446 H 1 noname 0.0435 47 H8 1.5039 1.6630 7.4351 H 1 noname 0.0283 48 H9 2.5004 3.0194 8.2901 H 1 noname 0.0283 49 H10 1.2740 4.5008 4.6243 H 1 noname 0.0283 50 H11 0.4986 2.7888 4.8032 H 1 noname 0.0283 51 H12 -4.4371 0.7151 0.3388 H 1 noname 0.1061 52 H13 1.9664 4.5202 6.7234 H 1 noname 0.0333 53 H14 -2.7401 -2.5389 -2.5688 H 1 noname 0.0329 54 H15 -1.7988 -3.6781 -1.3939 H 1 noname 0.0329 55 H16 -4.1031 -3.9827 -0.3223 H 1 noname 0.0234 56 H17 -4.7684 -3.3546 -1.8491 H 1 noname 0.0234 57 H18 -3.7935 -4.8438 -1.8491 H 1 noname 0.0234 58 H19 0.0527 3.3502 9.0461 H 1 noname 0.2108 59 H20 -0.9713 2.0181 8.0080 H 1 noname 0.0259 60 H21 -1.6990 2.5439 6.4710 H 1 noname 0.0259 61 H22 -0.1319 1.6998 6.4710 H 1 noname 0.0259 62 H23 -1.2960 5.4957 7.0247 H 1 noname 0.0259 63 H24 -0.1066 5.3668 5.7067 H 1 noname 0.0259 64 H25 -1.5512 4.3269 5.7067 H 1 noname 0.0259 65 H26 2.5844 -3.8988 1.1766 H 1 noname 0.0853 66 H27 -0.1276 -5.8504 -1.6559 H 1 noname 0.0637 67 H28 1.5439 -7.7088 -2.0048 H 1 noname 0.0656 68 H29 3.6142 -8.7160 -0.7878 H 1 noname 0.1257 69 H30 4.8698 -7.4979 -0.7878 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 8 11 2 11 8 12 1 12 9 13 2 13 10 14 1 14 10 13 1 15 12 15 1 16 12 16 1 17 14 17 2 18 14 18 1 19 15 19 1 20 16 20 1 21 17 21 1 22 18 22 1 23 18 23 2 24 19 24 1 25 20 24 1 26 21 25 2 27 22 26 3 28 23 27 1 29 23 25 1 30 24 28 1 31 26 29 1 32 27 30 1 33 28 31 1 34 28 32 1 35 28 33 1 36 29 34 2 37 29 35 1 38 34 36 1 39 35 37 2 40 36 38 2 41 37 38 1 42 38 39 1 43 7 40 1 44 9 41 1 45 13 42 1 46 15 43 1 47 15 44 1 48 16 45 1 49 16 46 1 50 19 47 1 51 19 48 1 52 20 49 1 53 20 50 1 54 21 51 1 55 24 52 1 56 27 53 1 57 27 54 1 58 30 55 1 59 30 56 1 60 30 57 1 61 31 58 1 62 32 59 1 63 32 60 1 64 32 61 1 65 33 62 1 66 33 63 1 67 33 64 1 68 34 65 1 69 35 66 1 70 37 67 1 71 39 68 1 72 39 69 1 @SUBSTRUCTURE 1 noname 1