@MOLECULE 116178 59 63 1 SMALL USER_CHARGES @ATOM 1 F1 -2.6541 5.9644 3.4886 F 1 noname -0.1568 2 C1 -2.0522 5.0490 4.1904 C.2 1 noname 0.0676 3 C2 -2.3741 3.6647 4.0602 C.2 1 noname 0.0465 4 C3 -1.0353 5.3701 5.1320 C.2 1 noname 0.0321 5 C4 -3.3582 3.3603 2.9993 C.2 1 noname 0.0322 6 C5 -1.7597 2.6416 4.8601 C.2 1 noname 0.0037 7 C6 -0.3500 4.3642 5.9273 C.2 1 noname -0.0001 8 O1 -3.7418 4.2083 2.1649 O.2 1 noname -0.2913 9 N1 -3.8465 1.9730 3.0115 N.3 1 noname -0.0637 10 C7 -0.7505 3.0018 5.7781 C.2 1 noname -0.0216 11 C8 0.7138 4.6641 6.8760 C.2 1 noname 0.0476 12 C9 -5.1993 1.6814 2.5495 C.3 1 noname 0.0218 13 C10 -2.9867 0.8984 2.5022 C.3 1 noname 0.0106 14 N2 1.3252 3.6055 7.5414 N.2 1 noname -0.2222 15 C11 1.1912 5.9799 7.2013 C.2 1 noname 0.0406 16 C12 -5.2483 0.2446 3.1011 C.3 1 noname 0.0241 17 C13 -3.8089 -0.2818 3.0088 C.3 1 noname -0.0102 18 C14 2.3170 3.7499 8.4665 C.2 1 noname 0.0454 19 C15 0.7464 7.0779 6.6791 C.1 1 noname -0.0101 20 C16 2.2160 6.1188 8.1614 C.2 1 noname 0.0370 21 N3 -6.1152 -0.6489 2.3326 N.3 1 noname -0.3123 22 C17 -3.7910 -1.3904 1.9685 C.3 1 noname -0.0350 23 N4 2.7371 5.0107 8.7558 N.2 1 noname -0.2309 24 C18 0.2502 8.0117 6.1271 C.1 1 noname -0.0269 25 C19 2.7148 7.4444 8.5154 C.3 1 noname 0.0467 26 C20 -5.2638 -1.6167 1.6185 C.3 1 noname -0.0041 27 C21 -0.3113 9.0248 5.5177 C.2 1 noname -0.0258 28 C22 2.4936 7.6904 10.0092 C.3 1 noname -0.0597 29 C23 -1.4553 9.6387 6.1032 C.2 1 noname 0.0129 30 C24 0.2613 9.5351 4.3129 C.2 1 noname -0.0243 31 N5 -1.9513 10.7374 5.4417 N.2 1 noname -0.2633 32 C25 -0.2779 10.6713 3.6581 C.2 1 noname -0.0315 33 C26 -1.4203 11.2619 4.2764 C.2 1 noname 0.0173 34 N6 -1.9876 12.3410 3.7201 N.3 1 noname -0.1209 35 H1 -0.7725 6.4216 5.2478 H 1 noname 0.0660 36 H2 -2.0578 1.5970 4.7710 H 1 noname 0.0631 37 H3 -0.2773 2.2227 6.3757 H 1 noname 0.0629 38 H4 -5.9012 2.3167 3.0897 H 1 noname 0.0452 39 H5 -5.2045 1.6671 1.4596 H 1 noname 0.0452 40 H6 -3.0085 0.9206 1.4126 H 1 noname 0.0439 41 H7 -2.0331 0.9349 3.0290 H 1 noname 0.0439 42 H8 -5.6872 0.2327 4.0988 H 1 noname 0.0481 43 H9 -3.4209 -0.6693 3.9508 H 1 noname 0.0333 44 H10 2.7600 2.8845 8.9593 H 1 noname 0.1061 45 H11 -7.1238 -0.6052 2.3006 H 1 noname 0.1225 46 H12 -3.2913 -1.0033 1.0805 H 1 noname 0.0283 47 H13 -3.4194 -2.2933 2.4530 H 1 noname 0.0283 48 H14 3.7906 7.4160 8.3422 H 1 noname 0.0329 49 H15 2.0935 8.1542 7.9693 H 1 noname 0.0329 50 H16 -5.5403 -2.5985 2.0028 H 1 noname 0.0428 51 H17 -5.3820 -1.3934 0.5582 H 1 noname 0.0428 52 H18 2.4168 6.7345 10.5274 H 1 noname 0.0234 53 H19 3.3335 8.2560 10.4126 H 1 noname 0.0234 54 H20 1.5728 8.2560 10.1518 H 1 noname 0.0234 55 H21 -1.9304 9.2832 7.0175 H 1 noname 0.0853 56 H22 1.1336 9.0441 3.8815 H 1 noname 0.0637 57 H23 0.1572 11.0650 2.7395 H 1 noname 0.0656 58 H24 -1.4272 13.1546 3.5105 H 1 noname 0.1257 59 H25 -2.9756 12.3406 3.5105 H 1 noname 0.1257 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 16 12 1 17 17 13 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 1 22 16 17 1 23 17 22 1 24 18 23 2 25 19 24 3 26 20 25 1 27 20 23 1 28 21 26 1 29 22 26 1 30 24 27 1 31 25 28 1 32 27 29 2 33 27 30 1 34 29 31 1 35 30 32 2 36 31 33 2 37 32 33 1 38 33 34 1 39 4 35 1 40 6 36 1 41 10 37 1 42 12 38 1 43 12 39 1 44 13 40 1 45 13 41 1 46 16 42 1 47 17 43 1 48 18 44 1 49 21 45 1 50 22 46 1 51 22 47 1 52 25 48 1 53 25 49 1 54 26 50 1 55 26 51 1 56 28 52 1 57 28 53 1 58 28 54 1 59 29 55 1 60 30 56 1 61 32 57 1 62 34 58 1 63 34 59 1 @SUBSTRUCTURE 1 noname 1