@MOLECULE DB06855 44 46 1 SMALL USER_CHARGES @ATOM 1 F1 -0.5823 -3.5401 -0.0859 F 1 noname -0.1562 2 C1 0.0267 -2.3938 0.0024 C.2 1 noname 0.0691 3 C2 1.4611 -2.3589 0.0961 C.2 1 noname 0.0575 4 C3 -0.7435 -1.1816 0.0050 C.2 1 noname 0.0276 5 C4 2.1614 -3.5247 0.0940 C.2 1 noname 0.0188 6 C5 2.1649 -1.1106 0.1918 C.2 1 noname 0.0390 7 C6 -0.0235 0.0418 0.0824 C.2 1 noname -0.0464 8 N1 3.4336 -3.5043 0.1766 N.2 1 noname 0.1675 9 N2 1.5289 -4.6686 0.0071 N.3 1 noname -0.0979 10 C7 1.3825 0.0761 0.1713 C.2 1 noname 0.0151 11 N3 -0.4514 1.3035 -0.0374 N.3 1 noname -0.0355 12 N4 1.7602 1.3576 0.1029 N.2 1 noname -0.2277 13 C8 0.6400 2.0965 -0.0359 C.2 1 noname -0.0262 14 C9 0.6140 3.4807 -0.1599 C.2 1 noname -0.0381 15 C10 1.8021 4.2021 -0.1457 C.2 1 noname 0.0127 16 C11 -0.5999 4.1434 -0.2981 C.2 1 noname -0.0510 17 O1 2.9811 3.5585 -0.0115 O.3 1 noname -0.8298 18 C12 1.7761 5.5864 -0.2697 C.2 1 noname -0.0175 19 C13 -0.6259 5.5276 -0.4221 C.2 1 noname -0.0814 20 O2 2.9299 6.2871 -0.2559 O.3 1 noname -0.2776 21 C14 0.5621 6.2491 -0.4079 C.2 1 noname -0.0317 22 C15 3.4217 6.4152 -1.5818 C.3 1 noname 0.0556 23 C16 4.7294 7.2093 -1.5662 C.3 1 noname -0.0230 24 C17 5.2594 7.3473 -2.9949 C.3 1 noname -0.0606 25 C18 5.7617 6.4752 -0.7081 C.3 1 noname -0.0606 26 H1 -1.8321 -1.1897 -0.0496 H 1 noname 0.0674 27 H2 3.2506 -1.0657 0.2766 H 1 noname 0.0656 28 H3 3.9515 -4.3708 0.2094 H 1 noname 0.2870 29 H4 3.9234 -2.6217 0.2094 H 1 noname 0.2870 30 H5 0.5196 -4.6863 -0.0264 H 1 noname 0.1297 31 H6 2.0506 -5.5328 -0.0264 H 1 noname 0.1297 32 H7 -1.4137 1.6004 -0.1143 H 1 noname 0.1543 33 H8 -1.5316 3.5777 -0.3092 H 1 noname 0.0629 34 H9 -1.5779 6.0473 -0.5304 H 1 noname 0.0623 35 H10 0.5417 7.3346 -0.5051 H 1 noname 0.0649 36 H11 3.6472 5.3998 -1.9077 H 1 noname 0.0574 37 H12 2.6749 7.0049 -2.1133 H 1 noname 0.0574 38 H13 4.5481 8.1997 -1.1487 H 1 noname 0.0320 39 H14 5.4175 6.3567 -3.4211 H 1 noname 0.0234 40 H15 4.5347 7.8919 -3.6002 H 1 noname 0.0234 41 H16 6.2035 7.8919 -2.9812 H 1 noname 0.0234 42 H17 5.5371 6.6350 0.3465 H 1 noname 0.0234 43 H18 5.7259 5.4086 -0.9297 H 1 noname 0.0234 44 H19 6.7575 6.8592 -0.9297 H 1 noname 0.0234 @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 10 12 1 13 11 13 1 14 12 13 2 15 13 14 1 16 14 15 2 17 14 16 1 18 15 17 1 19 15 18 1 20 16 19 2 21 18 20 1 22 18 21 2 23 19 21 1 24 20 22 1 25 22 23 1 26 23 24 1 27 23 25 1 28 4 26 1 29 6 27 1 30 8 28 1 31 8 29 1 32 9 30 1 33 9 31 1 34 11 32 1 35 16 33 1 36 19 34 1 37 21 35 1 38 22 36 1 39 22 37 1 40 23 38 1 41 24 39 1 42 24 40 1 43 24 41 1 44 25 42 1 45 25 43 1 46 25 44 1 @SUBSTRUCTURE 1 noname 1