@MOLECULE 178242 74 78 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3005 2.3447 -7.6952 F 1 noname -0.1580 2 C1 0.9009 1.9967 -7.3372 C.2 1 noname 0.0539 3 C2 1.6785 1.2134 -8.1821 C.2 1 noname 0.0417 4 C3 1.4070 2.4083 -6.1098 C.2 1 noname 0.0296 5 N1 1.1906 0.8166 -9.3654 N.3 1 noname -0.1225 6 C4 2.9620 0.8416 -7.7996 C.2 1 noname -0.0114 7 C5 2.6905 2.0366 -5.7273 C.2 1 noname -0.0140 8 C6 2.0199 0.6152 -10.3985 C.2 1 noname 0.0412 9 C7 3.4681 1.2532 -6.5722 C.2 1 noname -0.0241 10 C8 3.1966 2.4482 -4.4998 C.2 1 noname 0.0740 11 O1 1.5648 0.2450 -11.5023 O.2 1 noname -0.2741 12 N2 3.3370 0.8106 -10.2483 N.3 1 noname -0.0547 13 N3 2.3849 2.6609 -3.4345 N.2 1 noname -0.2347 14 C9 4.5628 2.6610 -4.3089 C.2 1 noname 0.0430 15 C10 4.2097 0.5987 -11.3354 C.3 1 noname 0.0356 16 C11 2.8158 3.0669 -2.2022 C.2 1 noname 0.1041 17 C12 5.4004 2.4389 -5.4980 C.2 1 noname 0.0384 18 C13 5.0624 3.0306 -3.0366 C.2 1 noname 0.1077 19 C14 5.6471 0.8901 -10.8999 C.3 1 noname 0.0588 20 C15 4.1023 -0.8552 -11.7997 C.3 1 noname -0.0470 21 N4 4.1648 3.2178 -2.0146 N.2 1 noname -0.2059 22 N5 1.8640 3.3182 -1.2165 N.3 1 noname -0.0527 23 O2 5.4017 1.3852 -6.1705 O.2 1 noname -0.2883 24 N6 6.2356 3.6112 -5.7961 N.3 1 noname -0.0608 25 O3 6.4203 3.1403 -2.7178 O.3 1 noname -0.2253 26 O4 5.7468 2.2395 -10.4689 O.3 1 noname -0.3946 27 C16 0.5960 3.9366 -1.6273 C.3 1 noname 0.0325 28 C17 2.1263 2.9222 0.1755 C.3 1 noname 0.0325 29 C18 7.4853 3.3884 -5.0671 C.3 1 noname 0.0353 30 C19 5.9040 4.7139 -6.6098 C.3 1 noname 0.0034 31 C20 7.3468 3.8588 -3.5847 C.3 1 noname 0.0843 32 C21 -0.2096 4.5583 -0.4243 C.3 1 noname 0.0713 33 C22 1.1665 3.6583 1.1944 C.3 1 noname 0.0713 34 C23 6.3317 4.4309 -8.0513 C.3 1 noname -0.0519 35 C24 8.7296 3.8993 -2.9312 C.3 1 noname -0.0342 36 C25 6.7669 5.2714 -3.6815 C.3 1 noname -0.0342 37 O5 0.7321 4.9142 0.6148 O.3 1 noname -0.3721 38 C26 -1.1038 3.5376 0.3026 C.3 1 noname -0.0229 39 C27 -0.1849 2.9436 1.3916 C.3 1 noname -0.0229 40 H1 0.7973 3.0226 -5.4472 H 1 noname 0.0660 41 H2 0.1978 0.6693 -9.4786 H 1 noname 0.1386 42 H3 3.5717 0.2273 -8.4622 H 1 noname 0.0640 43 H4 4.4746 0.9617 -6.2722 H 1 noname 0.0630 44 H5 3.6632 1.1095 -9.3404 H 1 noname 0.1327 45 H6 3.8760 1.2921 -12.1074 H 1 noname 0.0490 46 H7 5.8616 0.2866 -10.0179 H 1 noname 0.0579 47 H8 6.2876 0.8175 -11.7789 H 1 noname 0.0579 48 H9 4.0538 -1.5114 -10.9308 H 1 noname 0.0247 49 H10 3.2007 -0.9794 -12.3996 H 1 noname 0.0247 50 H11 4.9758 -1.1105 -12.3996 H 1 noname 0.0247 51 H12 5.7490 2.2697 -9.5094 H 1 noname 0.2100 52 H13 0.8891 4.7589 -2.2799 H 1 noname 0.0462 53 H14 0.0026 3.1121 -2.0224 H 1 noname 0.0462 54 H15 1.8908 1.8585 0.2126 H 1 noname 0.0462 55 H16 3.1420 3.2628 0.3765 H 1 noname 0.0462 56 H17 7.6271 2.3077 -5.0594 H 1 noname 0.0465 57 H18 8.2208 4.0312 -5.5508 H 1 noname 0.0465 58 H19 4.8160 4.7747 -6.5839 H 1 noname 0.0433 59 H20 6.5052 5.5414 -6.2332 H 1 noname 0.0433 60 H21 -0.7754 5.4118 -0.7979 H 1 noname 0.0616 61 H22 1.7162 3.7881 2.1266 H 1 noname 0.0616 62 H23 6.3792 3.3538 -8.2114 H 1 noname 0.0243 63 H24 5.6071 4.8687 -8.7379 H 1 noname 0.0243 64 H25 7.3135 4.8687 -8.2315 H 1 noname 0.0243 65 H26 8.6192 3.8961 -1.8468 H 1 noname 0.0260 66 H27 9.3034 3.0257 -3.2406 H 1 noname 0.0260 67 H28 9.2514 4.8049 -3.2406 H 1 noname 0.0260 68 H29 6.6045 5.6669 -2.6789 H 1 noname 0.0260 69 H30 7.4648 5.9147 -4.2173 H 1 noname 0.0260 70 H31 5.8182 5.2387 -4.2173 H 1 noname 0.0260 71 H32 -1.9029 4.0871 0.8002 H 1 noname 0.0294 72 H33 -1.3463 2.7428 -0.4028 H 1 noname 0.0294 73 H34 -0.0388 1.8875 1.1649 H 1 noname 0.0294 74 H35 -0.5810 3.2431 2.3619 H 1 noname 0.0294 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 2 14 10 14 1 15 15 12 1 16 13 16 1 17 14 17 1 18 14 18 2 19 15 19 1 20 15 20 1 21 16 21 2 22 16 22 1 23 17 23 2 24 17 24 1 25 18 25 1 26 18 21 1 27 19 26 1 28 22 27 1 29 22 28 1 30 24 29 1 31 24 30 1 32 25 31 1 33 27 32 1 34 28 33 1 35 29 31 1 36 30 34 1 37 31 35 1 38 31 36 1 39 32 37 1 40 32 38 1 41 33 39 1 42 33 37 1 43 38 39 1 44 4 40 1 45 5 41 1 46 6 42 1 47 9 43 1 48 12 44 1 49 15 45 1 50 19 46 1 51 19 47 1 52 20 48 1 53 20 49 1 54 20 50 1 55 26 51 1 56 27 52 1 57 27 53 1 58 28 54 1 59 28 55 1 60 29 56 1 61 29 57 1 62 30 58 1 63 30 59 1 64 32 60 1 65 33 61 1 66 34 62 1 67 34 63 1 68 34 64 1 69 35 65 1 70 35 66 1 71 35 67 1 72 36 68 1 73 36 69 1 74 36 70 1 75 38 71 1 76 38 72 1 77 39 73 1 78 39 74 1 @SUBSTRUCTURE 1 noname 1