@MOLECULE 72942036 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 1.8586 2.6443 -7.6670 F 1 noname -0.1577 2 O1 7.7450 1.0850 0.5799 O.3 1 noname -0.3811 3 O2 4.8247 1.3588 -3.5502 O.2 1 noname -0.2522 4 N1 4.7486 -1.5237 -1.0472 N.3 1 noname -0.3000 5 N2 3.6285 -0.2908 -4.6471 N.3 1 noname -0.1083 6 N3 3.4739 1.8070 -5.3535 N.3 1 noname -0.1068 7 C1 3.9286 -1.4434 -3.8725 C.3 1 noname 0.0259 8 C2 5.5454 -0.5433 -0.3114 C.3 1 noname 0.0140 9 C3 2.8485 -1.4869 -2.7543 C.3 1 noname -0.0237 10 C4 5.4382 -1.6830 -3.5353 C.3 1 noname -0.0237 11 C5 5.6045 -2.1907 -2.0752 C.3 1 noname 0.0000 12 C6 3.4581 -0.9045 -1.4618 C.3 1 noname 0.0000 13 C7 6.7139 -1.2501 0.3784 C.3 1 noname -0.0138 14 C8 6.0868 0.5068 -1.2836 C.3 1 noname -0.0138 15 C9 6.9206 1.5328 -0.5136 C.3 1 noname 0.0482 16 C10 7.5477 -0.2241 1.1484 C.3 1 noname 0.0482 17 C11 2.7758 -0.3060 -5.6843 C.2 1 noname 0.0167 18 C12 4.0367 0.9918 -4.4485 C.2 1 noname 0.1277 19 C13 2.7002 1.0359 -6.1315 C.2 1 noname 0.0436 20 C14 2.0284 -1.3551 -6.3157 C.2 1 noname -0.0355 21 C15 1.9173 1.4117 -7.2549 C.2 1 noname 0.0495 22 C16 1.2428 -0.9880 -7.4481 C.2 1 noname -0.0370 23 C17 1.1982 0.3659 -7.9082 C.2 1 noname -0.0074 24 C18 0.4716 -2.0104 -8.1492 C.3 1 noname 0.0008 25 H1 3.5836 -2.2835 -4.4753 H 1 noname 0.0477 26 H2 4.9213 -0.0569 0.4382 H 1 noname 0.0468 27 H3 1.9905 -0.8854 -3.0544 H 1 noname 0.0296 28 H4 2.5962 -2.5308 -2.5685 H 1 noname 0.0296 29 H5 5.8523 -2.4184 -4.2250 H 1 noname 0.0296 30 H6 5.9424 -0.7190 -3.6027 H 1 noname 0.0296 31 H7 2.7365 -0.9899 -0.6493 H 1 noname 0.0431 32 H8 3.6693 0.1493 -1.6435 H 1 noname 0.0431 33 H9 5.4377 -3.2674 -2.0437 H 1 noname 0.0431 34 H10 6.6506 -2.0516 -1.8027 H 1 noname 0.0431 35 H11 6.3282 -1.9983 1.0710 H 1 noname 0.0306 36 H12 7.3380 -1.7365 -0.3712 H 1 noname 0.0306 37 H13 5.2543 1.0103 -1.7751 H 1 noname 0.0306 38 H14 6.7109 0.0204 -2.0333 H 1 noname 0.0306 39 H15 7.1574 -0.1253 2.1613 H 1 noname 0.0566 40 H16 8.5319 -0.6608 1.3183 H 1 noname 0.0566 41 H17 6.2761 2.3438 -0.1743 H 1 noname 0.0566 42 H18 7.5699 2.0344 -1.2312 H 1 noname 0.0566 43 H19 3.6015 2.7655 -5.4299 H 1 noname 0.1386 44 H20 2.0572 -2.3151 -5.9721 H 1 noname 0.0642 45 H21 0.6352 0.5909 -8.7285 H 1 noname 0.0656 46 H22 -0.2433 -2.4617 -7.4612 H 1 noname 0.0279 47 H23 -0.0637 -1.5545 -8.9820 H 1 noname 0.0279 48 H24 1.1461 -2.7784 -8.5277 H 1 noname 0.0279 @BOND 1 1 21 1 2 2 15 1 3 2 16 1 4 3 18 2 5 4 8 1 6 4 11 1 7 4 12 1 8 5 7 1 9 5 17 1 10 5 18 1 11 6 18 1 12 6 19 1 13 6 43 1 14 7 9 1 15 7 10 1 16 7 25 1 17 8 13 1 18 8 14 1 19 8 26 1 20 9 12 1 21 9 27 1 22 9 28 1 23 10 11 1 24 10 29 1 25 10 30 1 26 11 33 1 27 11 34 1 28 12 31 1 29 12 32 1 30 13 16 1 31 13 35 1 32 13 36 1 33 14 15 1 34 14 37 1 35 14 38 1 36 15 41 1 37 15 42 1 38 16 39 1 39 16 40 1 40 17 19 2 41 17 20 1 42 19 21 1 43 20 22 2 44 20 44 1 45 21 23 2 46 22 23 1 47 22 24 1 48 23 45 1 49 24 46 1 50 24 47 1 51 24 48 1 @SUBSTRUCTURE 1 noname 1