@MOLECULE 178276 73 77 1 SMALL USER_CHARGES @ATOM 1 F1 6.3592 -5.7422 -1.7332 F 1 noname -0.1578 2 C1 5.3298 -5.5401 -0.9637 C.2 1 noname 0.0558 3 C2 4.1435 -6.2265 -1.1954 C.2 1 noname 0.0423 4 C3 5.4162 -4.6378 0.0901 C.2 1 noname 0.0299 5 N1 4.0601 -7.0963 -2.2113 N.3 1 noname -0.0972 6 C4 3.0436 -6.0106 -0.3733 C.2 1 noname -0.0096 7 C5 4.3164 -4.4219 0.9122 C.2 1 noname -0.0125 8 C6 3.2425 -8.1542 -2.1223 C.2 1 noname 0.1318 9 C7 3.1301 -5.1083 0.6805 C.2 1 noname -0.0238 10 C8 4.4028 -3.5197 1.9660 C.2 1 noname 0.0740 11 O1 3.1647 -8.9656 -3.0699 O.2 1 noname -0.2320 12 O2 2.5027 -8.3436 -1.0090 O.3 1 noname -0.1842 13 N2 5.2250 -2.4411 1.8963 N.2 1 noname -0.2346 14 C9 3.6440 -3.6970 3.1307 C.2 1 noname 0.0430 15 C10 1.6362 -9.4647 -0.9146 C.3 1 noname 0.0889 16 C11 5.3953 -1.5213 2.8986 C.2 1 noname 0.1041 17 C12 2.7286 -4.8612 3.1959 C.2 1 noname 0.0384 18 C13 3.7793 -2.7367 4.1846 C.2 1 noname 0.1077 19 C14 0.6017 -9.4059 -2.0403 C.3 1 noname 0.0699 20 C15 0.9204 -9.4436 0.4374 C.3 1 noname -0.0357 21 N3 4.6521 -1.6881 4.0428 N.2 1 noname -0.2059 22 N4 6.2931 -0.4815 2.7010 N.3 1 noname -0.0527 23 O3 1.9053 -5.1188 2.2913 O.2 1 noname -0.2883 24 N5 2.8605 -5.6937 4.4069 N.3 1 noname -0.0608 25 O4 3.0249 -2.7449 5.3354 O.3 1 noname -0.2253 26 O5 -0.2648 -10.5269 -1.9459 O.3 1 noname -0.3935 27 C16 5.8130 0.9084 2.7363 C.3 1 noname 0.0325 28 C17 7.7001 -0.8452 2.4528 C.3 1 noname 0.0325 29 C18 2.2985 -5.0855 5.6378 C.3 1 noname 0.0353 30 C19 3.4713 -6.9644 4.3952 C.3 1 noname 0.0034 31 C20 3.1391 -3.9104 6.1836 C.3 1 noname 0.0843 32 C21 6.9273 1.9552 2.3335 C.3 1 noname 0.0713 33 C22 8.6044 0.3912 2.0922 C.3 1 noname 0.0713 34 C23 4.9685 -6.8132 4.6719 C.3 1 noname -0.0519 35 C24 2.6693 -3.5606 7.5970 C.3 1 noname -0.0342 36 C25 4.6041 -4.3504 6.1507 C.3 1 noname -0.0342 37 O6 8.1850 1.5180 2.8984 O.3 1 noname -0.3721 38 C26 7.2748 1.9839 0.8285 C.3 1 noname -0.0229 39 C27 8.3656 0.9059 0.6588 C.3 1 noname -0.0229 40 H1 6.3465 -4.0996 0.2718 H 1 noname 0.0660 41 H2 4.6136 -6.9545 -3.0442 H 1 noname 0.1397 42 H3 2.1134 -6.5488 -0.5550 H 1 noname 0.0640 43 H4 2.2676 -4.9390 1.3251 H 1 noname 0.0630 44 H5 2.2798 -10.3391 -1.0107 H 1 noname 0.0631 45 H6 -0.0310 -8.5343 -1.8723 H 1 noname 0.0590 46 H7 1.1270 -9.5234 -2.9881 H 1 noname 0.0590 47 H8 0.7438 -10.4661 0.7711 H 1 noname 0.0258 48 H9 1.5403 -8.9248 1.1687 H 1 noname 0.0258 49 H10 -0.0328 -8.9248 0.3359 H 1 noname 0.0258 50 H11 -0.4232 -10.7319 -1.0216 H 1 noname 0.2101 51 H12 5.0354 0.9512 1.9736 H 1 noname 0.0462 52 H13 5.5614 1.0870 3.7817 H 1 noname 0.0462 53 H14 8.0568 -1.2388 3.4046 H 1 noname 0.0462 54 H15 7.6692 -1.4891 1.5739 H 1 noname 0.0462 55 H16 1.3375 -4.6690 5.3363 H 1 noname 0.0465 56 H17 2.3391 -5.8743 6.3891 H 1 noname 0.0465 57 H18 3.0249 -7.5068 5.2287 H 1 noname 0.0433 58 H19 3.3496 -7.3337 3.3770 H 1 noname 0.0433 59 H20 6.5985 2.9301 2.6935 H 1 noname 0.0616 60 H21 9.6454 0.1212 2.2699 H 1 noname 0.0616 61 H22 5.1391 -6.7960 5.7483 H 1 noname 0.0243 62 H23 5.5059 -7.6534 4.2322 H 1 noname 0.0243 63 H24 5.3270 -5.8825 4.2322 H 1 noname 0.0243 64 H25 2.4837 -4.4779 8.1557 H 1 noname 0.0260 65 H26 3.4394 -2.9773 8.1019 H 1 noname 0.0260 66 H27 1.7503 -2.9773 7.5405 H 1 noname 0.0260 67 H28 4.9731 -4.4612 7.1704 H 1 noname 0.0260 68 H29 4.6855 -5.3040 5.6292 H 1 noname 0.0260 69 H30 5.1974 -3.5993 5.6292 H 1 noname 0.0260 70 H31 6.3940 1.6557 0.2766 H 1 noname 0.0294 71 H32 7.7263 2.9514 0.6090 H 1 noname 0.0294 72 H33 9.2774 1.4002 0.3235 H 1 noname 0.0294 73 H34 7.9424 0.0886 0.0749 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 15 44 1 49 19 45 1 50 19 46 1 51 20 47 1 52 20 48 1 53 20 49 1 54 26 50 1 55 27 51 1 56 27 52 1 57 28 53 1 58 28 54 1 59 29 55 1 60 29 56 1 61 30 57 1 62 30 58 1 63 32 59 1 64 33 60 1 65 34 61 1 66 34 62 1 67 34 63 1 68 35 64 1 69 35 65 1 70 35 66 1 71 36 67 1 72 36 68 1 73 36 69 1 74 38 70 1 75 38 71 1 76 39 72 1 77 39 73 1 @SUBSTRUCTURE 1 noname 1