@MOLECULE DB07405 44 47 1 SMALL USER_CHARGES @ATOM 1 F1 0.6622 -1.3411 -4.6694 F 1 noname -0.1634 2 C1 -0.4292 -2.0472 -4.6156 C.2 1 noname 0.0128 3 C2 -0.6021 -3.0702 -3.6437 C.2 1 noname 0.0507 4 C3 -1.4991 -1.8280 -5.5266 C.2 1 noname 0.0038 5 N1 0.4242 -3.3870 -2.8279 N.3 1 noname -0.1021 6 C4 -1.8322 -3.7978 -3.5174 C.2 1 noname 0.0285 7 C5 -2.6882 -2.6169 -5.4767 C.2 1 noname -0.0166 8 C6 0.3314 -4.3777 -1.7873 C.3 1 noname 0.1187 9 C7 -1.9792 -4.6125 -2.4063 C.2 1 noname -0.0456 10 C8 -2.8768 -3.6123 -4.4709 C.2 1 noname 0.0345 11 N2 -0.9904 -4.8419 -1.6042 N.2 1 noname -0.2423 12 C9 0.9532 -3.6584 -0.5308 C.3 1 noname -0.0006 13 C10 1.0899 -5.6825 -2.2260 C.3 1 noname -0.0006 14 N3 -3.1433 -5.1617 -2.1630 N.3 1 noname -0.1307 15 F2 -3.9638 -4.3257 -4.4256 F 1 noname -0.1608 16 C11 2.5321 -3.7498 -0.4740 C.3 1 noname 0.0097 17 C12 2.6412 -5.5628 -2.2725 C.3 1 noname 0.0097 18 N4 3.0317 -4.2113 -1.8291 N.3 1 noname -0.0663 19 C13 4.0009 -3.5253 -2.7320 C.2 1 noname 0.0241 20 O1 4.8912 -4.1671 -3.3303 O.2 1 noname -0.2931 21 C14 3.8722 -2.0426 -2.8982 C.2 1 noname 0.0280 22 C15 4.8020 -1.3697 -3.7548 C.2 1 noname 0.0479 23 C16 2.9112 -1.2354 -2.1946 C.2 1 noname 0.0126 24 N5 4.7068 0.0074 -3.8228 N.2 1 noname -0.2023 25 C17 2.8350 0.1756 -2.2655 C.2 1 noname 0.0271 26 C18 3.7933 0.7719 -3.1208 C.2 1 noname 0.0623 27 C19 3.8144 2.0575 -3.2479 C.1 1 noname 0.0972 28 N6 3.8332 3.1998 -3.3608 N.1 1 noname -0.1714 29 H1 -1.4061 -1.0418 -6.2759 H 1 noname 0.0654 30 H2 1.2769 -2.8735 -2.9992 H 1 noname 0.1307 31 H3 -3.4676 -2.4561 -6.2214 H 1 noname 0.0654 32 H4 0.7168 -2.6006 -0.6457 H 1 noname 0.0318 33 H5 0.5885 -4.2072 0.3375 H 1 noname 0.0318 34 H6 0.8804 -6.4206 -1.4518 H 1 noname 0.0318 35 H7 0.7839 -5.8704 -3.2552 H 1 noname 0.0318 36 H8 -3.9653 -4.5824 -2.0692 H 1 noname 0.1258 37 H9 -3.2189 -6.1645 -2.0692 H 1 noname 0.1258 38 H10 2.9183 -2.7403 -0.3332 H 1 noname 0.0437 39 H11 2.7940 -4.5371 0.2329 H 1 noname 0.0437 40 H12 3.0506 -6.2507 -1.5327 H 1 noname 0.0437 41 H13 2.9498 -5.6369 -3.3152 H 1 noname 0.0437 42 H14 5.5608 -1.8908 -4.3385 H 1 noname 0.0847 43 H15 2.1816 -1.7333 -1.5559 H 1 noname 0.0632 44 H16 2.0993 0.7550 -1.7077 H 1 noname 0.0653 @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 6 9 1 9 6 10 2 10 7 10 1 11 8 11 1 12 8 12 1 13 8 13 1 14 9 14 1 15 9 11 2 16 10 15 1 17 12 16 1 18 13 17 1 19 16 18 1 20 17 18 1 21 18 19 1 22 19 20 2 23 19 21 1 24 21 22 2 25 21 23 1 26 22 24 1 27 23 25 2 28 24 26 2 29 25 26 1 30 26 27 1 31 27 28 3 32 4 29 1 33 5 30 1 34 7 31 1 35 12 32 1 36 12 33 1 37 13 34 1 38 13 35 1 39 14 36 1 40 14 37 1 41 16 38 1 42 16 39 1 43 17 40 1 44 17 41 1 45 22 42 1 46 23 43 1 47 25 44 1 @SUBSTRUCTURE 1 noname 1