@MOLECULE DB00973 51 54 1 SMALL USER_CHARGES @ATOM 1 F1 1.9232 3.3644 -0.7518 F 1 noname -0.1660 2 C1 1.1060 2.3549 -0.6760 C.2 1 noname 0.0236 3 C2 0.7213 1.8862 0.6216 C.2 1 noname -0.0003 4 C3 0.6358 1.7675 -1.8929 C.2 1 noname -0.0003 5 C4 -0.1783 0.7793 0.6908 C.2 1 noname -0.0169 6 C5 -0.2608 0.6621 -1.7991 C.2 1 noname -0.0169 7 C6 -0.6780 0.1593 -0.5103 C.2 1 noname -0.0229 8 N1 -1.5556 -0.9013 -0.4240 N.3 1 noname -0.1289 9 C7 -2.5555 -1.2238 0.5271 C.2 1 noname 0.1372 10 C8 -1.7542 -2.0250 -1.2703 C.3 1 noname 0.0582 11 O1 -2.9986 -0.7120 1.5779 O.2 1 noname -0.2723 12 C9 -2.8528 -2.4757 -0.3013 C.3 1 noname 0.0539 13 C10 -2.3606 -1.5885 -2.5246 C.2 1 noname -0.0588 14 C11 -2.3826 -3.7157 0.4618 C.3 1 noname -0.0374 15 C12 -2.1033 -2.2842 -3.7001 C.2 1 noname -0.0427 16 C13 -3.1953 -0.4772 -2.5433 C.2 1 noname -0.0427 17 C14 -2.6798 -4.9673 -0.3664 C.3 1 noname -0.0219 18 C15 -2.6806 -1.8687 -4.8943 C.2 1 noname -0.0298 19 C16 -3.7727 -0.0616 -3.7374 C.2 1 noname -0.0298 20 C17 -2.2096 -6.2073 0.3966 C.3 1 noname 0.0791 21 C18 -3.5154 -0.7574 -4.9129 C.2 1 noname -0.0015 22 O2 -0.8122 -6.1165 0.6322 O.3 1 noname -0.3883 23 C19 -2.4933 -7.4017 -0.3937 C.2 1 noname -0.0450 24 O3 -4.0761 -0.3538 -6.0727 O.3 1 noname -0.2861 25 C20 -3.3270 -8.3904 0.1158 C.2 1 noname -0.0326 26 C21 -1.9296 -7.5501 -1.6556 C.2 1 noname -0.0326 27 C22 -3.5970 -9.5275 -0.6366 C.2 1 noname -0.0050 28 C23 -2.1996 -8.6873 -2.4080 C.2 1 noname -0.0050 29 C24 -3.0333 -9.6759 -1.8985 C.2 1 noname 0.0234 30 F2 -3.2861 -10.7403 -2.6028 F 1 noname -0.1655 31 H1 1.1014 2.3572 1.5281 H 1 noname 0.0653 32 H2 0.9513 2.1510 -2.8632 H 1 noname 0.0653 33 H3 -0.4857 0.4049 1.6673 H 1 noname 0.0640 34 H4 -0.6284 0.2000 -2.7153 H 1 noname 0.0640 35 H5 -0.9135 -2.6441 -1.5833 H 1 noname 0.0535 36 H6 -3.8594 -2.7252 -0.6370 H 1 noname 0.0417 37 H7 -1.2981 -3.6425 0.5433 H 1 noname 0.0276 38 H8 -2.9936 -3.7816 1.3620 H 1 noname 0.0276 39 H9 -1.4487 -3.1557 -3.6854 H 1 noname 0.0627 40 H10 -3.3971 0.0684 -1.6215 H 1 noname 0.0627 41 H11 -3.7643 -5.0405 -0.4479 H 1 noname 0.0296 42 H12 -2.0689 -4.9014 -1.2667 H 1 noname 0.0296 43 H13 -2.4788 -2.4143 -5.8161 H 1 noname 0.0650 44 H14 -4.4273 0.8098 -3.7521 H 1 noname 0.0650 45 H15 -2.6859 -6.3083 1.3719 H 1 noname 0.0651 46 H16 -0.6472 -6.1057 1.5779 H 1 noname 0.2109 47 H17 -4.3268 -1.1218 -6.5913 H 1 noname 0.2181 48 H18 -3.7690 -8.2740 1.1053 H 1 noname 0.0627 49 H19 -1.2758 -6.7748 -2.0551 H 1 noname 0.0627 50 H20 -4.2508 -10.3028 -0.2371 H 1 noname 0.0653 51 H21 -1.7576 -8.8037 -3.3975 H 1 noname 0.0653 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 9 11 2 12 9 12 1 13 10 13 1 14 10 12 1 15 12 14 1 16 13 15 2 17 13 16 1 18 14 17 1 19 15 18 1 20 16 19 2 21 17 20 1 22 18 21 2 23 19 21 1 24 20 22 1 25 20 23 1 26 21 24 1 27 23 25 2 28 23 26 1 29 25 27 1 30 26 28 2 31 27 29 2 32 28 29 1 33 29 30 1 34 3 31 1 35 4 32 1 36 5 33 1 37 6 34 1 38 10 35 1 39 12 36 1 40 14 37 1 41 14 38 1 42 15 39 1 43 16 40 1 44 17 41 1 45 17 42 1 46 18 43 1 47 19 44 1 48 20 45 1 49 22 46 1 50 24 47 1 51 25 48 1 52 26 49 1 53 27 50 1 54 28 51 1 @SUBSTRUCTURE 1 noname 1