@MOLECULE DB07092 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 -5.9956 0.5654 7.3107 F 1 noname -0.2052 2 C1 -5.0328 -0.4075 7.3892 C.3 1 noname 0.2619 3 F2 -4.1037 -0.3533 6.3825 F 1 noname -0.2052 4 C2 -5.7011 -1.7922 7.3754 C.3 1 noname 0.0698 5 C3 -4.3133 -0.3042 8.7311 C.3 1 noname 0.0257 6 N1 -4.9088 -2.6824 8.2111 N.3 1 noname -0.0601 7 C4 -4.3364 -1.7473 9.2265 C.3 1 noname 0.0118 8 C5 -3.9516 -3.3297 7.2810 C.2 1 noname 0.0525 9 O1 -4.1351 -3.3187 6.0446 O.2 1 noname -0.2888 10 C6 -2.7326 -4.0098 7.8992 C.3 1 noname 0.0905 11 N2 -3.3182 -4.7605 9.0198 N.3 1 noname -0.3197 12 C7 -1.8664 -4.8621 6.9119 C.3 1 noname 0.0593 13 C8 -1.3670 -4.1088 5.6446 C.2 1 noname 0.0428 14 C9 -0.6632 -5.6048 7.5739 C.3 1 noname -0.0282 15 O2 -1.6933 -4.5133 4.5078 O.2 1 noname -0.2940 16 N3 -0.5871 -3.0266 5.7723 N.3 1 noname -0.0729 17 C10 0.3809 -4.6113 8.2153 C.3 1 noname -0.0490 18 C11 -1.1686 -6.7812 8.4762 C.3 1 noname -0.0490 19 C12 -0.1347 -2.3442 4.6243 C.3 1 noname -0.0061 20 C13 -0.2190 -2.5702 7.0546 C.3 1 noname -0.0061 21 C14 1.0717 -5.0337 9.5313 C.3 1 noname -0.0460 22 C15 -1.1758 -6.4322 9.9891 C.3 1 noname -0.0460 23 C16 0.2147 -5.9294 10.5029 C.3 1 noname 0.0199 24 C17 0.9409 -7.1021 11.0196 C.2 1 noname -0.0282 25 C18 1.6447 -8.0167 10.1738 C.2 1 noname -0.0557 26 C19 0.8102 -7.3469 12.4283 C.2 1 noname -0.0045 27 N4 2.1603 -9.1173 10.7841 N.3 1 noname -0.0511 28 C20 1.3447 -8.5104 13.0300 C.2 1 noname 0.0135 29 N5 2.8356 -10.0668 10.2363 N.2 1 noname -0.2765 30 C21 2.0202 -9.3640 12.1187 C.2 1 noname 0.0245 31 C22 3.1486 -10.9469 11.2099 C.2 1 noname 0.0757 32 N6 2.6425 -10.5157 12.3805 N.2 1 noname -0.1904 33 H1 -6.6720 -1.7024 7.8627 H 1 noname 0.0498 34 H2 -5.6346 -2.1881 6.3620 H 1 noname 0.0498 35 H3 -3.2769 -0.0243 8.5424 H 1 noname 0.0341 36 H4 -4.9267 0.2971 9.4022 H 1 noname 0.0341 37 H5 -3.2968 -2.0487 9.3552 H 1 noname 0.0437 38 H6 -5.0207 -1.7743 10.0745 H 1 noname 0.0437 39 H7 -2.0034 -3.2926 8.2759 H 1 noname 0.0568 40 H8 -2.7441 -5.0184 9.8098 H 1 noname 0.1191 41 H9 -4.2946 -5.0184 8.9996 H 1 noname 0.1191 42 H10 -2.5895 -5.6081 6.5819 H 1 noname 0.0421 43 H11 -0.0781 -6.0977 6.7975 H 1 noname 0.0311 44 H12 1.1931 -4.5396 7.4919 H 1 noname 0.0270 45 H13 -0.1920 -3.7229 8.4813 H 1 noname 0.0270 46 H14 -2.2114 -6.9451 8.2043 H 1 noname 0.0270 47 H15 -0.4422 -7.5856 8.3604 H 1 noname 0.0270 48 H16 0.1642 -3.0676 3.8658 H 1 noname 0.0399 49 H17 -0.9373 -1.7187 4.2335 H 1 noname 0.0399 50 H18 0.7187 -1.7187 4.8862 H 1 noname 0.0399 51 H19 -0.0323 -3.4250 7.7047 H 1 noname 0.0399 52 H20 0.6854 -1.9664 6.9796 H 1 noname 0.0399 53 H21 -1.0254 -1.9664 7.4707 H 1 noname 0.0399 54 H22 1.9129 -5.6539 9.2216 H 1 noname 0.0273 55 H23 1.2502 -4.1018 10.0678 H 1 noname 0.0273 56 H24 -1.8624 -5.5927 10.0988 H 1 noname 0.0273 57 H25 -1.3724 -7.3688 10.5108 H 1 noname 0.0273 58 H26 0.0476 -5.2540 11.3419 H 1 noname 0.0352 59 H27 1.7834 -7.8797 9.1013 H 1 noname 0.0817 60 H28 0.2893 -6.6275 13.0601 H 1 noname 0.0627 61 H29 1.2455 -8.7281 14.0934 H 1 noname 0.0660 62 H30 3.7214 -11.8640 11.0721 H 1 noname 0.1079 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 6 7 1 9 8 9 2 10 8 10 1 11 10 11 1 12 10 12 1 13 12 13 1 14 12 14 1 15 13 15 2 16 13 16 1 17 14 17 1 18 14 18 1 19 16 19 1 20 16 20 1 21 17 21 1 22 18 22 1 23 21 23 1 24 22 23 1 25 23 24 1 26 24 25 2 27 24 26 1 28 25 27 1 29 26 28 2 30 27 29 1 31 27 30 1 32 28 30 1 33 29 31 2 34 30 32 2 35 31 32 1 36 4 33 1 37 4 34 1 38 5 35 1 39 5 36 1 40 7 37 1 41 7 38 1 42 10 39 1 43 11 40 1 44 11 41 1 45 12 42 1 46 14 43 1 47 17 44 1 48 17 45 1 49 18 46 1 50 18 47 1 51 19 48 1 52 19 49 1 53 19 50 1 54 20 51 1 55 20 52 1 56 20 53 1 57 21 54 1 58 21 55 1 59 22 56 1 60 22 57 1 61 23 58 1 62 25 59 1 63 26 60 1 64 28 61 1 65 31 62 1 @SUBSTRUCTURE 1 noname 1