@MOLECULE 178348 71 76 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3827 2.1507 -7.5324 F 1 noname -0.1580 2 C1 0.8484 1.8755 -7.2141 C.2 1 noname 0.0539 3 C2 1.6777 1.2396 -8.1306 C.2 1 noname 0.0417 4 C3 1.3344 2.2173 -5.9575 C.2 1 noname 0.0296 5 N1 1.2092 0.9101 -9.3420 N.3 1 noname -0.1226 6 C4 2.9930 0.9456 -7.7906 C.2 1 noname -0.0114 7 C5 2.6497 1.9233 -5.6174 C.2 1 noname -0.0140 8 C6 2.0387 0.8730 -10.3938 C.2 1 noname 0.0407 9 C7 3.4790 1.2874 -6.5339 C.2 1 noname -0.0241 10 C8 3.1357 2.2651 -4.3608 C.2 1 noname 0.0740 11 O1 3.2494 1.1458 -10.2450 O.2 1 noname -0.2742 12 N2 1.5701 0.5434 -11.6053 N.3 1 noname -0.0561 13 N3 2.3233 2.3121 -3.2760 N.2 1 noname -0.2347 14 C9 4.4816 2.5753 -4.1594 C.2 1 noname 0.0430 15 C10 2.4429 0.5044 -12.7120 C.3 1 noname 0.0154 16 C11 2.7349 2.6415 -2.0146 C.2 1 noname 0.1041 17 C12 5.3190 2.5323 -5.3684 C.2 1 noname 0.0384 18 C13 4.9653 2.8709 -2.8617 C.2 1 noname 0.1077 19 C14 1.6607 0.1037 -13.9644 C.3 1 noname -0.0358 20 C15 2.5299 -0.9280 -13.2426 C.3 1 noname -0.0358 21 N4 4.0688 2.8892 -1.8219 N.2 1 noname -0.2059 22 N5 1.7786 2.7221 -1.0048 N.3 1 noname -0.0527 23 O2 5.3999 1.5468 -6.1331 O.2 1 noname -0.2883 24 N6 6.0485 3.7932 -5.5644 N.3 1 noname -0.0608 25 O3 6.3133 3.0667 -2.5422 O.3 1 noname -0.2253 26 C16 0.4577 3.2646 -1.3509 C.3 1 noname 0.0325 27 C17 2.0918 2.2270 0.3442 C.3 1 noname 0.0325 28 C18 7.3222 3.6133 -4.8656 C.3 1 noname 0.0353 29 C19 5.6145 4.9320 -6.2735 C.3 1 noname 0.0034 30 C20 7.1644 3.9359 -3.3461 C.3 1 noname 0.0843 31 C21 -0.3812 3.7058 -0.0923 C.3 1 noname 0.0713 32 C22 1.0873 2.7850 1.4308 C.3 1 noname 0.0713 33 C23 6.0452 4.8163 -7.7370 C.3 1 noname -0.0519 34 C24 8.5475 4.0351 -2.6996 C.3 1 noname -0.0342 35 C25 6.4665 5.2970 -3.3119 C.3 1 noname -0.0342 36 O4 0.5410 4.0461 0.9693 O.3 1 noname -0.3721 37 C26 -1.1766 2.5519 0.5449 C.3 1 noname -0.0229 38 C27 -0.1965 1.9433 1.5706 C.3 1 noname -0.0229 39 H1 0.6841 2.7159 -5.2388 H 1 noname 0.0660 40 H2 0.2309 0.6897 -9.4624 H 1 noname 0.1386 41 H3 3.6433 0.4470 -8.5093 H 1 noname 0.0640 42 H4 4.5104 1.0568 -6.2673 H 1 noname 0.0630 43 H5 0.5859 0.3303 -11.6821 H 1 noname 0.1326 44 H6 3.1329 1.2939 -12.4144 H 1 noname 0.0469 45 H7 0.5848 -0.0105 -13.8325 H 1 noname 0.0283 46 H8 2.0574 0.4775 -14.9084 H 1 noname 0.0283 47 H9 3.4629 -1.1908 -13.7412 H 1 noname 0.0283 48 H10 1.9902 -1.6788 -12.6654 H 1 noname 0.0283 49 H11 0.6719 4.1639 -1.9285 H 1 noname 0.0462 50 H12 -0.0695 2.4313 -1.8154 H 1 noname 0.0462 51 H13 1.9471 1.1481 0.2868 H 1 noname 0.0462 52 H14 3.0778 2.6334 0.5693 H 1 noname 0.0462 53 H15 7.5544 2.5521 -4.9562 H 1 noname 0.0465 54 H16 7.9945 4.3568 -5.2937 H 1 noname 0.0465 55 H17 4.5257 4.8976 -6.2360 H 1 noname 0.0433 56 H18 6.1489 5.7707 -5.8273 H 1 noname 0.0433 57 H19 -1.0217 4.5380 -0.3841 H 1 noname 0.0616 58 H20 1.6365 2.8772 2.3678 H 1 noname 0.0616 59 H21 6.1255 3.7641 -8.0100 H 1 noname 0.0243 60 H22 5.3047 5.3012 -8.3731 H 1 noname 0.0243 61 H23 7.0122 5.3012 -7.8706 H 1 noname 0.0243 62 H24 8.4428 4.0276 -1.6146 H 1 noname 0.0260 63 H25 9.1563 3.1866 -3.0117 H 1 noname 0.0260 64 H26 9.0289 4.9620 -3.0117 H 1 noname 0.0260 65 H27 6.3113 5.5998 -2.2763 H 1 noname 0.0260 66 H28 7.0875 6.0365 -3.8174 H 1 noname 0.0260 67 H29 5.5036 5.2244 -3.8174 H 1 noname 0.0260 68 H30 -2.0124 2.9849 1.0945 H 1 noname 0.0294 69 H31 -1.3607 1.8056 -0.2279 H 1 noname 0.0294 70 H32 0.0349 0.9279 1.2488 H 1 noname 0.0294 71 H33 -0.6034 2.1202 2.5662 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 12 15 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 20 1 28 22 26 1 29 22 27 1 30 24 28 1 31 24 29 1 32 25 30 1 33 26 31 1 34 27 32 1 35 28 30 1 36 29 33 1 37 30 34 1 38 30 35 1 39 31 36 1 40 31 37 1 41 32 38 1 42 32 36 1 43 37 38 1 44 4 39 1 45 5 40 1 46 6 41 1 47 9 42 1 48 12 43 1 49 15 44 1 50 19 45 1 51 19 46 1 52 20 47 1 53 20 48 1 54 26 49 1 55 26 50 1 56 27 51 1 57 27 52 1 58 28 53 1 59 28 54 1 60 29 55 1 61 29 56 1 62 31 57 1 63 32 58 1 64 33 59 1 65 33 60 1 66 33 61 1 67 34 62 1 68 34 63 1 69 34 64 1 70 35 65 1 71 35 66 1 72 35 67 1 73 37 68 1 74 37 69 1 75 38 70 1 76 38 71 1 @SUBSTRUCTURE 1 noname 1