@MOLECULE 76966521 61 65 1 SMALL USER_CHARGES @ATOM 1 F1 2.9951 -12.4758 4.3180 F 1 noname -0.1662 2 F2 -0.8866 -9.0781 -3.1159 F 1 noname -0.1662 3 O1 0.5196 0.6068 -3.1113 O.2 1 noname -0.2501 4 N1 1.5572 -3.2460 0.8069 N.3 1 noname -0.2992 5 N2 0.1489 0.0685 -0.8984 N.3 1 noname -0.1084 6 N3 -0.9138 1.8472 -1.7954 N.3 1 noname -0.1161 7 C1 2.1564 -4.4397 1.4014 C.3 1 noname -0.0014 8 C2 1.1245 -3.5486 -0.5848 C.3 1 noname 0.0036 9 C3 1.1266 -5.5711 1.4221 C.3 1 noname -0.0395 10 C4 0.9116 -2.2597 -1.4790 C.3 1 noname -0.0042 11 C5 1.7537 -6.8203 2.0442 C.3 1 noname -0.0410 12 C6 2.4877 -2.0961 0.9589 C.3 1 noname 0.0179 13 C7 0.7239 -7.9516 2.0649 C.3 1 noname 0.0393 14 C8 0.9693 -1.0048 -0.6893 C.2 1 noname -0.0072 15 C9 1.7633 -0.9606 0.4143 C.2 1 noname -0.0335 16 C10 1.3223 -9.1437 2.6585 C.2 1 noname -0.0554 17 C11 0.2995 -8.2484 0.6998 C.2 1 noname -0.0554 18 C12 -0.6661 0.6240 0.0447 C.2 1 noname 0.0074 19 C13 -0.0407 0.8248 -2.0154 C.2 1 noname 0.1318 20 C14 -1.3205 1.7411 -0.5245 C.2 1 noname 0.0086 21 C15 -1.0378 -8.1183 0.3439 C.2 1 noname -0.0417 22 C16 0.5734 -10.3078 2.7853 C.2 1 noname -0.0417 23 C17 1.2329 -8.6611 -0.2439 C.2 1 noname -0.0417 24 C18 2.6411 -9.1145 3.0970 C.2 1 noname -0.0417 25 C19 -0.9356 0.2272 1.3922 C.2 1 noname -0.0228 26 C20 -2.2704 2.5268 0.2061 C.2 1 noname -0.0266 27 C21 -1.4418 -8.4009 -0.9557 C.2 1 noname -0.0083 28 C22 1.1431 -11.4427 3.3505 C.2 1 noname -0.0083 29 C23 3.2108 -10.2494 3.6622 C.2 1 noname -0.0083 30 C24 0.8289 -8.9437 -1.5436 C.2 1 noname -0.0083 31 C25 -1.8906 0.9850 2.1342 C.2 1 noname -0.0527 32 C26 -2.5423 2.1120 1.5445 C.2 1 noname -0.0508 33 C27 -0.5085 -8.8136 -1.8994 C.2 1 noname 0.0191 34 C28 2.4619 -11.4135 3.7890 C.2 1 noname 0.0191 35 H1 2.4732 -4.2181 2.4205 H 1 noname 0.0430 36 H2 3.0201 -4.7453 0.8108 H 1 noname 0.0430 37 H3 0.2030 -4.1303 -0.5605 H 1 noname 0.0434 38 H4 1.8695 -4.1784 -1.0712 H 1 noname 0.0434 39 H5 0.2630 -5.2655 2.0127 H 1 noname 0.0280 40 H6 0.8098 -5.7927 0.4030 H 1 noname 0.0280 41 H7 -0.0503 -2.3251 -1.9875 H 1 noname 0.0339 42 H8 1.7639 -2.2439 -2.1582 H 1 noname 0.0339 43 H9 2.0705 -6.5987 3.0633 H 1 noname 0.0276 44 H10 2.6174 -7.1259 1.4536 H 1 noname 0.0276 45 H11 2.6862 -1.9268 2.0172 H 1 noname 0.0475 46 H12 3.3744 -2.3207 0.3661 H 1 noname 0.0475 47 H13 -0.1397 -7.6460 2.6555 H 1 noname 0.0402 48 H14 1.8541 -0.0918 0.8802 H 1 noname 0.0602 49 H15 -1.1879 2.5219 -2.4361 H 1 noname 0.1385 50 H16 -1.7227 -7.8155 1.0364 H 1 noname 0.0626 51 H17 -0.3943 -10.3292 2.4636 H 1 noname 0.0626 52 H18 2.2143 -8.7566 0.0172 H 1 noname 0.0626 53 H19 3.1907 -8.2603 3.0039 H 1 noname 0.0626 54 H20 -0.4599 -0.5726 1.8100 H 1 noname 0.0640 55 H21 -2.7278 3.3389 -0.2082 H 1 noname 0.0639 56 H22 -2.4232 -8.3054 -1.2169 H 1 noname 0.0653 57 H23 0.5935 -12.2969 3.4436 H 1 noname 0.0653 58 H24 1.5138 -9.2466 -2.2361 H 1 noname 0.0653 59 H25 4.1785 -10.2280 3.9839 H 1 noname 0.0653 60 H26 -2.1101 0.7199 3.0944 H 1 noname 0.0623 61 H27 -3.2219 2.6355 2.0964 H 1 noname 0.0623 @BOND 1 1 34 1 2 2 33 1 3 3 19 2 4 4 7 1 5 4 8 1 6 4 12 1 7 5 14 1 8 5 18 1 9 5 19 1 10 6 19 1 11 6 20 1 12 6 49 1 13 7 9 1 14 7 35 1 15 7 36 1 16 8 10 1 17 8 37 1 18 8 38 1 19 9 11 1 20 9 39 1 21 9 40 1 22 10 14 1 23 10 41 1 24 10 42 1 25 11 13 1 26 11 43 1 27 11 44 1 28 12 15 1 29 12 45 1 30 12 46 1 31 13 16 1 32 13 17 1 33 13 47 1 34 14 15 2 35 15 48 1 36 16 22 2 37 16 24 1 38 17 21 2 39 17 23 1 40 18 20 1 41 18 25 2 42 20 26 2 43 21 27 1 44 21 50 1 45 22 28 1 46 22 51 1 47 23 30 2 48 23 52 1 49 24 29 2 50 24 53 1 51 25 31 1 52 25 54 1 53 26 32 1 54 26 55 1 55 27 33 2 56 27 56 1 57 28 34 2 58 28 57 1 59 29 34 1 60 29 59 1 61 30 33 1 62 30 58 1 63 31 32 2 64 31 60 1 65 32 61 1 @SUBSTRUCTURE 1 noname 1