@MOLECULE 68107965 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 -1.7160 -3.6138 -3.5336 F 1 noname -0.1288 2 O1 1.9414 3.8124 -0.4608 O.3 1 noname -0.2630 3 O2 3.8065 2.4539 1.1323 O.2 1 noname -0.2746 4 N1 2.6143 1.2410 2.6887 N.3 1 noname -0.1305 5 N2 -0.6068 -4.1796 -1.5536 N.2 1 noname -0.2071 6 N3 5.1077 2.8601 4.9125 N.2 1 noname -0.2477 7 C1 1.8801 1.4849 0.2953 C.2 1 noname 0.0213 8 C2 0.6752 -0.1989 -1.0186 C.2 1 noname -0.0364 9 C3 1.5141 2.5082 -0.6407 C.2 1 noname 0.0469 10 C4 1.4766 0.1543 0.1063 C.2 1 noname 0.0111 11 C5 0.3560 0.8580 -1.9598 C.2 1 noname -0.0146 12 C6 0.7686 2.2065 -1.8143 C.2 1 noname -0.0109 13 C7 0.2412 -1.5885 -1.1767 C.2 1 noname -0.0050 14 C8 1.0440 4.5550 0.3835 C.3 1 noname 0.0785 15 C9 2.8009 1.7496 1.3668 C.2 1 noname 0.0966 16 C10 1.4955 5.9133 0.5792 C.2 1 noname -0.0434 17 C11 -0.5624 -1.9307 -2.3279 C.2 1 noname 0.0369 18 C12 0.5957 -2.6292 -0.2205 C.2 1 noname -0.0203 19 C13 1.7041 6.3694 1.9162 C.2 1 noname -0.0497 20 C14 1.7167 6.7532 -0.5568 C.2 1 noname -0.0497 21 C15 3.4214 1.5865 3.7396 C.2 1 noname 0.0122 22 C16 -0.9918 -3.2652 -2.5106 C.2 1 noname 0.0842 23 C17 0.1534 -3.9595 -0.4256 C.2 1 noname 0.0144 24 C18 2.1528 7.7098 2.1351 C.2 1 noname -0.0585 25 C19 2.1770 8.0911 -0.3644 C.2 1 noname -0.0585 26 C20 2.3824 8.5416 0.9841 C.2 1 noname -0.0611 27 C21 3.2481 0.8333 4.9381 C.2 1 noname -0.0172 28 C22 4.3993 2.6277 3.7688 C.2 1 noname 0.0208 29 C23 3.9900 1.0752 6.1378 C.2 1 noname -0.0198 30 C24 4.9351 2.1337 6.0708 C.2 1 noname -0.0052 31 H1 1.7574 -0.5623 0.7757 H 1 noname 0.0638 32 H2 -0.2011 0.6153 -2.7790 H 1 noname 0.0630 33 H3 0.5443 2.9182 -2.5097 H 1 noname 0.0650 34 H4 0.0493 4.5634 -0.0620 H 1 noname 0.0623 35 H5 0.9371 4.0477 1.3424 H 1 noname 0.0623 36 H6 -0.8187 -1.2127 -3.0056 H 1 noname 0.0677 37 H7 1.1621 -2.4001 0.5963 H 1 noname 0.0645 38 H8 1.8835 0.6236 2.8490 H 1 noname 0.1375 39 H9 1.5350 5.7465 2.7061 H 1 noname 0.0626 40 H10 1.5469 6.3989 -1.4981 H 1 noname 0.0626 41 H11 0.3845 -4.7110 0.2242 H 1 noname 0.0840 42 H12 2.3055 8.0651 3.0789 H 1 noname 0.0622 43 H13 2.3541 8.7066 -1.1583 H 1 noname 0.0622 44 H14 2.7067 9.4972 1.1326 H 1 noname 0.0622 45 H15 2.5584 0.0818 4.9403 H 1 noname 0.0640 46 H16 4.5675 3.1953 2.9382 H 1 noname 0.0856 47 H17 3.8494 0.5243 6.9846 H 1 noname 0.0639 48 H18 5.4948 2.3596 6.8930 H 1 noname 0.0839 @BOND 1 1 22 1 2 2 9 1 3 2 14 1 4 3 15 2 5 4 15 1 6 4 21 1 7 4 38 1 8 5 22 2 9 5 23 1 10 6 28 1 11 6 30 2 12 7 9 2 13 7 10 1 14 7 15 1 15 8 10 2 16 8 11 1 17 8 13 1 18 9 12 1 19 10 31 1 20 11 12 2 21 11 32 1 22 12 33 1 23 13 17 2 24 13 18 1 25 14 16 1 26 14 34 1 27 14 35 1 28 16 19 2 29 16 20 1 30 17 22 1 31 17 36 1 32 18 23 2 33 18 37 1 34 19 24 1 35 19 39 1 36 20 25 2 37 20 40 1 38 21 27 1 39 21 28 2 40 23 41 1 41 24 26 2 42 24 42 1 43 25 26 1 44 25 43 1 45 26 44 1 46 27 29 2 47 27 45 1 48 28 46 1 49 29 30 1 50 29 47 1 51 30 48 1 @SUBSTRUCTURE 1 noname 1