@MOLECULE 116170 59 63 1 SMALL USER_CHARGES @ATOM 1 F1 -8.8700 3.5494 4.3929 F 1 noname -0.1568 2 C1 -8.6206 3.3410 3.1332 C.2 1 noname 0.0676 3 C2 -8.3052 4.4035 2.2347 C.2 1 noname 0.0465 4 C3 -8.6444 2.0411 2.5622 C.2 1 noname 0.0321 5 C4 -8.1521 5.7123 2.8890 C.2 1 noname 0.0320 6 C5 -8.0836 4.2164 0.8287 C.2 1 noname 0.0036 7 C6 -8.3743 1.7877 1.1559 C.2 1 noname -0.0001 8 O1 -8.1769 5.8335 4.1328 O.2 1 noname -0.2914 9 N1 -7.9688 6.8689 2.0024 N.3 1 noname -0.0646 10 C7 -8.1123 2.9053 0.3048 C.2 1 noname -0.0217 11 C8 -8.3730 0.4592 0.5620 C.2 1 noname 0.0476 12 C9 -8.6061 8.1229 2.3526 C.3 1 noname 0.0142 13 C10 -6.7966 7.1481 1.1568 C.3 1 noname 0.0068 14 N2 -8.0651 0.3394 -0.7905 N.2 1 noname -0.2222 15 C11 -8.6789 -0.7599 1.2627 C.2 1 noname 0.0406 16 C12 -8.6661 8.6601 0.9249 C.3 1 noname 0.0097 17 C13 -7.4285 8.1422 0.1672 C.3 1 noname -0.0305 18 C14 -8.0479 -0.8451 -1.4650 C.2 1 noname 0.0454 19 C15 -8.9860 -0.8372 2.5213 C.1 1 noname -0.0101 20 C16 -8.6579 -1.9760 0.5516 C.2 1 noname 0.0370 21 C17 -8.9912 10.1381 0.7958 C.3 1 noname 0.0034 22 C18 -10.0044 8.3613 0.2493 C.3 1 noname 0.0034 23 N3 -8.3477 -1.9780 -0.7740 N.2 1 noname -0.2309 24 C19 -9.2465 -0.7573 3.6826 C.1 1 noname -0.0269 25 C20 -8.9675 -3.2292 1.2336 C.3 1 noname 0.0467 26 N4 -10.3115 9.7991 0.2354 N.3 1 noname -0.3154 27 C21 -9.5260 -0.6463 4.9577 C.2 1 noname -0.0258 28 C22 -10.1826 -3.8829 0.5725 C.3 1 noname -0.0597 29 C23 -8.6908 0.1116 5.8304 C.2 1 noname 0.0129 30 C24 -10.6619 -1.3482 5.4568 C.2 1 noname -0.0243 31 N5 -9.0526 0.1108 7.1570 N.2 1 noname -0.2633 32 C25 -11.0044 -1.3276 6.8306 C.2 1 noname -0.0315 33 C26 -10.1464 -0.5627 7.6740 C.2 1 noname 0.0173 34 N6 -10.4026 -0.4944 8.9875 N.3 1 noname -0.1209 35 H1 -8.8781 1.2090 3.2264 H 1 noname 0.0660 36 H2 -7.8955 5.0610 0.1659 H 1 noname 0.0631 37 H3 -7.9318 2.7554 -0.7596 H 1 noname 0.0629 38 H4 -9.6111 7.9191 2.7221 H 1 noname 0.0442 39 H5 -7.9155 8.7170 2.9511 H 1 noname 0.0442 40 H6 -6.0529 7.6639 1.7641 H 1 noname 0.0436 41 H7 -6.5299 6.2319 0.6301 H 1 noname 0.0436 42 H8 -6.7376 8.9753 0.0381 H 1 noname 0.0287 43 H9 -7.7737 7.5809 -0.7011 H 1 noname 0.0287 44 H10 -7.8016 -0.8853 -2.5260 H 1 noname 0.1061 45 H11 -9.1027 10.6011 1.7763 H 1 noname 0.0434 46 H12 -8.3672 10.6111 0.0376 H 1 noname 0.0434 47 H13 -9.8591 7.9952 -0.7670 H 1 noname 0.0434 48 H14 -10.6785 7.8367 0.9264 H 1 noname 0.0434 49 H15 -8.1106 -3.8816 1.0656 H 1 noname 0.0329 50 H16 -9.2530 -2.9552 2.2492 H 1 noname 0.0329 51 H17 -11.1149 10.3416 -0.0482 H 1 noname 0.1222 52 H18 -10.8622 -4.2486 1.3423 H 1 noname 0.0234 53 H19 -10.6973 -3.1492 -0.0479 H 1 noname 0.0234 54 H20 -9.8540 -4.7168 -0.0479 H 1 noname 0.0234 55 H21 -7.8141 0.6674 5.4979 H 1 noname 0.0853 56 H22 -11.2866 -1.9169 4.7680 H 1 noname 0.0637 57 H23 -11.8715 -1.8654 7.2138 H 1 noname 0.0656 58 H24 -9.6406 -0.4687 9.6500 H 1 noname 0.1257 59 H25 -11.3576 -0.4687 9.3151 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 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 1 22 16 22 1 23 16 17 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 17 42 1 47 17 43 1 48 18 44 1 49 21 45 1 50 21 46 1 51 22 47 1 52 22 48 1 53 25 49 1 54 25 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