@MOLECULE 116059 60 63 1 SMALL USER_CHARGES @ATOM 1 F1 2.8587 -1.3578 3.3552 F 1 noname -0.1548 2 C1 1.7051 -0.7622 3.2696 C.2 1 noname 0.0797 3 C2 1.3456 0.2781 4.1821 C.2 1 noname 0.0913 4 C3 0.7635 -1.1289 2.2624 C.2 1 noname 0.0266 5 C4 0.1152 0.9992 4.1046 C.2 1 noname 0.0797 6 C5 2.2286 0.4631 5.3519 C.2 1 noname 0.0498 7 C6 -0.5136 -0.4743 2.1617 C.2 1 noname 0.0123 8 F2 -0.1538 1.9701 4.9277 F 1 noname -0.1548 9 C7 -0.8040 0.6123 3.0904 C.2 1 noname 0.0266 10 O1 2.2381 -0.4168 6.2396 O.2 1 noname -0.2873 11 N1 3.1038 1.6481 5.5177 N.3 1 noname -0.0551 12 C8 -1.5159 -0.8543 1.1568 C.2 1 noname 0.0478 13 C9 4.1932 1.2742 6.4836 C.3 1 noname 0.0802 14 C10 2.3918 2.9506 5.7885 C.3 1 noname 0.0199 15 N2 -2.6497 -0.0707 1.1798 N.2 1 noname -0.2213 16 C11 -1.4640 -1.9107 0.1653 C.2 1 noname 0.0415 17 C12 3.8152 1.5216 7.9799 C.2 1 noname 0.0488 18 C13 2.1210 3.2400 7.2990 C.3 1 noname 0.0188 19 C14 -3.7205 -0.1919 0.3483 C.2 1 noname 0.0456 20 C15 -0.5044 -2.7968 -0.0658 C.1 1 noname -0.0099 21 C16 -2.5820 -2.0231 -0.6893 C.2 1 noname 0.0371 22 O2 3.9062 0.6854 8.9045 O.2 1 noname -0.2904 23 N3 3.3288 2.9212 8.1175 N.3 1 noname -0.0667 24 N4 -3.6512 -1.1843 -0.5818 N.2 1 noname -0.2300 25 C17 0.3477 -3.6164 -0.3080 C.1 1 noname -0.0268 26 C18 -2.5935 -3.0636 -1.7135 C.3 1 noname 0.0467 27 C19 3.9565 3.8684 8.9522 C.3 1 noname -0.0057 28 C20 1.3003 -4.5088 -0.5573 C.2 1 noname -0.0250 29 C21 -3.7859 -3.9939 -1.4821 C.3 1 noname -0.0597 30 C22 2.5500 -4.4306 0.1339 C.2 1 noname 0.0133 31 C23 1.1045 -5.5621 -1.5119 C.2 1 noname -0.0239 32 N5 3.5057 -5.3837 -0.1611 N.2 1 noname -0.2618 33 C24 2.1065 -6.5353 -1.8001 C.2 1 noname -0.0301 34 C25 3.3260 -6.4008 -1.0784 C.2 1 noname 0.0185 35 N6 4.3174 -7.2765 -1.2927 N.3 1 noname -0.1129 36 C26 5.4595 -6.5900 -1.7534 C.3 1 noname -0.0101 37 H1 1.0236 -1.9206 1.5597 H 1 noname 0.0660 38 H2 -1.7458 1.1570 3.0240 H 1 noname 0.0660 39 H3 4.3192 0.1977 6.3678 H 1 noname 0.0532 40 H4 5.0195 1.9474 6.2553 H 1 noname 0.0532 41 H5 3.0790 3.7244 5.4462 H 1 noname 0.0449 42 H6 1.4151 2.8418 5.3170 H 1 noname 0.0449 43 H7 1.9690 4.3144 7.4018 H 1 noname 0.0449 44 H8 1.3480 2.5461 7.6292 H 1 noname 0.0449 45 H9 -4.5844 0.4685 0.4231 H 1 noname 0.1061 46 H10 -2.7558 -2.5497 -2.6609 H 1 noname 0.0329 47 H11 -1.6859 -3.6469 -1.5584 H 1 noname 0.0329 48 H12 3.7822 3.6054 9.9956 H 1 noname 0.0399 49 H13 5.0282 3.8745 8.7532 H 1 noname 0.0399 50 H14 3.5444 4.8577 8.7532 H 1 noname 0.0399 51 H15 -3.9465 -4.1192 -0.4113 H 1 noname 0.0234 52 H16 -4.6778 -3.5609 -1.9351 H 1 noname 0.0234 53 H17 -3.5829 -4.9643 -1.9351 H 1 noname 0.0234 54 H18 2.7698 -3.6590 0.8718 H 1 noname 0.0853 55 H19 0.1537 -5.6256 -2.0409 H 1 noname 0.0637 56 H20 1.9499 -7.3324 -2.5268 H 1 noname 0.0656 57 H21 4.2216 -8.2697 -1.1360 H 1 noname 0.1292 58 H22 6.0416 -6.2401 -0.9008 H 1 noname 0.0396 59 H23 6.0685 -7.2624 -2.3577 H 1 noname 0.0396 60 H24 5.1514 -5.7368 -2.3577 H 1 noname 0.0396 @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 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 2 23 17 23 1 24 18 23 1 25 19 24 2 26 20 25 3 27 21 26 1 28 21 24 1 29 23 27 1 30 25 28 1 31 26 29 1 32 28 30 2 33 28 31 1 34 30 32 1 35 31 33 2 36 32 34 2 37 33 34 1 38 34 35 1 39 35 36 1 40 4 37 1 41 9 38 1 42 13 39 1 43 13 40 1 44 14 41 1 45 14 42 1 46 18 43 1 47 18 44 1 48 19 45 1 49 26 46 1 50 26 47 1 51 27 48 1 52 27 49 1 53 27 50 1 54 29 51 1 55 29 52 1 56 29 53 1 57 30 54 1 58 31 55 1 59 33 56 1 60 35 57 1 61 36 58 1 62 36 59 1 63 36 60 1 @SUBSTRUCTURE 1 noname 1