@MOLECULE 27793 64 67 1 SMALL USER_CHARGES @ATOM 1 F1 -0.7380 4.2052 -1.1808 F 1 noname -0.1571 2 C1 -0.2005 3.0255 -1.0988 C.2 1 noname 0.0553 3 C2 -0.9564 1.8212 -0.9108 C.2 1 noname 0.0337 4 C3 1.2075 3.0007 -1.2577 C.2 1 noname -0.0192 5 C4 -0.2427 0.5778 -0.8792 C.2 1 noname 0.0212 6 C5 -2.3767 1.8746 -0.7637 C.2 1 noname 0.0253 7 C6 1.8982 1.7694 -1.2523 C.2 1 noname -0.0342 8 N1 -0.9173 -0.6035 -0.6692 N.3 1 noname 0.0167 9 C7 1.1747 0.5757 -1.0767 C.2 1 noname -0.0484 10 O1 -2.9464 2.8654 -0.2575 O.2 1 noname -0.2930 11 N2 -3.2137 0.9035 -1.1608 N.3 1 noname -0.0844 12 C8 -0.3536 -1.8310 -0.4980 C.2 1 noname 0.0396 13 N3 0.5805 -1.9819 0.4767 N.2 1 noname -0.2667 14 C9 -0.4881 -2.8542 -1.4535 C.2 1 noname -0.0558 15 C10 1.4645 -3.0161 0.5132 C.2 1 noname 0.0797 16 C11 0.3794 -3.9400 -1.3861 C.2 1 noname 0.0844 17 C12 -1.2809 -2.9884 -2.5911 C.2 1 noname -0.0345 18 N4 1.3500 -4.0115 -0.4304 N.2 1 noname -0.2574 19 N5 2.5587 -2.8535 1.3382 N.3 1 noname 0.0389 20 N6 0.1265 -4.7329 -2.4443 N.3 1 noname -0.0098 21 C13 -0.8594 -4.1766 -3.1885 C.2 1 noname -0.1073 22 C14 3.6922 -2.1100 1.0269 C.2 1 noname -0.0042 23 C15 4.8956 -2.2214 1.7803 C.2 1 noname -0.0008 24 C16 3.7011 -1.3657 -0.1731 C.2 1 noname -0.0227 25 O2 4.8871 -2.8750 2.9554 O.3 1 noname -0.2743 26 C17 6.1302 -1.7157 1.2824 C.2 1 noname -0.0297 27 C18 4.9203 -0.9741 -0.7551 C.2 1 noname -0.0400 28 C19 4.5932 -1.9621 4.0026 C.3 1 noname 0.0424 29 C20 6.1305 -1.0714 0.0111 C.2 1 noname -0.0432 30 N7 4.8539 -0.6576 -2.0862 N.3 1 noname -0.1389 31 C21 7.4324 -0.5820 -0.4699 C.3 1 noname 0.0036 32 C22 4.1284 -1.2100 -3.1279 C.2 1 noname 0.1362 33 O3 4.2644 -0.6754 -4.2504 O.2 1 noname -0.2709 34 C23 3.1785 -2.3480 -3.1186 C.3 1 noname 0.0723 35 N8 3.5939 -3.4855 -2.2713 N.3 1 noname -0.3010 36 C24 4.8753 -4.0049 -2.7466 C.3 1 noname -0.0131 37 C25 2.5841 -4.5403 -2.3422 C.3 1 noname -0.0131 38 H1 1.7606 3.9313 -1.3846 H 1 noname 0.0653 39 H2 2.9800 1.7406 -1.3825 H 1 noname 0.0624 40 H3 -1.9261 -0.5659 -0.6376 H 1 noname 0.1357 41 H4 1.7216 -0.3670 -1.0940 H 1 noname 0.0639 42 H5 -4.1912 1.1091 -1.3102 H 1 noname 0.1274 43 H6 -2.8661 -0.0330 -1.3102 H 1 noname 0.1274 44 H7 -2.0612 -2.3111 -2.9381 H 1 noname 0.0644 45 H8 2.5276 -3.3131 2.2371 H 1 noname 0.1374 46 H9 0.5989 -5.6024 -2.6467 H 1 noname 0.1537 47 H10 -1.2470 -4.6107 -4.1101 H 1 noname 0.0789 48 H11 2.7614 -1.0917 -0.6528 H 1 noname 0.0657 49 H12 7.0497 -1.8189 1.8585 H 1 noname 0.0654 50 H13 4.3396 -2.5157 4.9066 H 1 noname 0.0535 51 H14 5.4642 -1.3349 4.1930 H 1 noname 0.0535 52 H15 3.7504 -1.3349 3.7121 H 1 noname 0.0535 53 H16 5.4439 0.1202 -2.3452 H 1 noname 0.1371 54 H17 8.0682 -0.3430 0.3826 H 1 noname 0.0280 55 H18 7.9098 -1.3534 -1.0742 H 1 noname 0.0280 56 H19 7.2835 0.3128 -1.0742 H 1 noname 0.0280 57 H20 2.2626 -1.9653 -2.6685 H 1 noname 0.0527 58 H21 3.1655 -2.7309 -4.1391 H 1 noname 0.0527 59 H22 5.5033 -4.2594 -1.8929 H 1 noname 0.0394 60 H23 4.7046 -4.8960 -3.3507 H 1 noname 0.0394 61 H24 5.3732 -3.2464 -3.3507 H 1 noname 0.0394 62 H25 2.2986 -4.8385 -1.3334 H 1 noname 0.0394 63 H26 1.7075 -4.1690 -2.8731 H 1 noname 0.0394 64 H27 2.9932 -5.3999 -2.8731 H 1 noname 0.0394 @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 9 1 12 8 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 14 17 1 18 15 18 2 19 15 19 1 20 16 20 1 21 16 18 1 22 17 21 2 23 19 22 1 24 20 21 1 25 22 23 2 26 22 24 1 27 23 25 1 28 23 26 1 29 24 27 2 30 25 28 1 31 26 29 2 32 27 30 1 33 27 29 1 34 29 31 1 35 30 32 1 36 32 33 2 37 32 34 1 38 34 35 1 39 35 36 1 40 35 37 1 41 4 38 1 42 7 39 1 43 8 40 1 44 9 41 1 45 11 42 1 46 11 43 1 47 17 44 1 48 19 45 1 49 20 46 1 50 21 47 1 51 24 48 1 52 26 49 1 53 28 50 1 54 28 51 1 55 28 52 1 56 30 53 1 57 31 54 1 58 31 55 1 59 31 56 1 60 34 57 1 61 34 58 1 62 36 59 1 63 36 60 1 64 36 61 1 65 37 62 1 66 37 63 1 67 37 64 1 @SUBSTRUCTURE 1 noname 1