@MOLECULE DB06207 67 69 1 SMALL USER_CHARGES @ATOM 1 F1 -9.1917 -4.0595 6.2254 F 1 noname -0.1684 2 C1 -7.9769 -4.2376 5.6154 C.3 1 noname 0.4120 3 F2 -7.4834 -3.0224 5.2161 F 1 noname -0.1684 4 F3 -8.1293 -5.0506 4.5220 F 1 noname -0.1684 5 C2 -7.0016 -4.8853 6.6005 C.3 1 noname 0.1491 6 O1 -5.7244 -5.0726 5.9592 O.3 1 noname -0.2585 7 C3 -4.7846 -5.6540 6.7836 C.2 1 noname 0.0254 8 C4 -3.9173 -4.8602 7.6210 C.2 1 noname 0.0259 9 C5 -4.6655 -7.0784 6.7531 C.2 1 noname -0.0218 10 O2 -4.0804 -3.4798 7.5393 O.3 1 noname -0.2640 11 C6 -2.9632 -5.5418 8.4701 C.2 1 noname -0.0222 12 C7 -3.7243 -7.7112 7.6040 C.2 1 noname -0.0635 13 C8 -3.2570 -2.6796 8.3902 C.3 1 noname 0.0660 14 C9 -2.8795 -6.9548 8.4626 C.2 1 noname -0.0632 15 C10 -3.3369 -1.2100 8.1655 C.3 1 noname 0.0195 16 N1 -2.4883 -0.6849 9.2316 N.3 1 noname -0.3116 17 C11 -2.5985 0.7702 9.2478 C.3 1 noname 0.0081 18 C12 -4.0108 1.2236 9.7328 C.3 1 noname 0.0115 19 C13 -1.4485 1.2754 10.1403 C.3 1 noname -0.0494 20 C14 -4.2527 2.6412 9.5590 C.2 1 noname -0.0732 21 C15 -3.9889 3.3921 10.7279 C.2 1 noname -0.0292 22 C16 -4.5919 3.2148 8.3101 C.2 1 noname -0.0500 23 C17 -4.0158 4.8058 10.7420 C.2 1 noname -0.0248 24 C18 -4.6560 4.6217 8.2983 C.2 1 noname -0.0501 25 C19 -4.4490 5.3805 9.4905 C.2 1 noname -0.0019 26 C20 -3.5888 5.4539 11.9684 C.2 1 noname 0.0089 27 C21 -4.9930 5.4416 7.1326 C.3 1 noname 0.0181 28 N2 -4.8645 6.6201 9.1159 N.3 1 noname -0.1260 29 O3 -2.8536 4.8674 12.8013 O.2 1 noname -0.2965 30 N3 -3.8993 6.7237 12.3148 N.3 1 noname -0.0872 31 C22 -4.6083 6.8126 7.7302 C.3 1 noname 0.0072 32 C23 -5.7122 7.5653 9.7714 C.3 1 noname 0.0053 33 C24 -6.4395 7.2314 11.0732 C.3 1 noname -0.0166 34 C25 -7.2629 8.4403 11.5220 C.3 1 noname 0.0444 35 O4 -7.9387 8.1301 12.7317 O.3 1 noname -0.3962 36 H1 -6.8252 -4.1763 7.4094 H 1 noname 0.0667 37 H2 -7.3698 -5.8866 6.8241 H 1 noname 0.0667 38 H3 -5.2870 -7.6769 6.0869 H 1 noname 0.0651 39 H4 -2.2966 -4.9817 9.1259 H 1 noname 0.0651 40 H5 -3.6487 -8.7985 7.5979 H 1 noname 0.0623 41 H6 -3.6441 -2.8566 9.3936 H 1 noname 0.0585 42 H7 -2.2370 -2.9717 8.1402 H 1 noname 0.0585 43 H8 -2.1671 -7.4586 9.1157 H 1 noname 0.0623 44 H9 -2.8617 -0.9785 7.2122 H 1 noname 0.0452 45 H10 -4.3593 -0.8848 8.3580 H 1 noname 0.0452 46 H11 -1.9183 -1.2378 9.8557 H 1 noname 0.1225 47 H12 -2.4848 1.1416 8.2293 H 1 noname 0.0465 48 H13 -4.7455 0.7406 9.0885 H 1 noname 0.0332 49 H14 -4.0477 1.0709 10.8114 H 1 noname 0.0332 50 H15 -1.7223 1.1551 11.1885 H 1 noname 0.0246 51 H16 -0.5469 0.6994 9.9319 H 1 noname 0.0246 52 H17 -1.2628 2.3291 9.9319 H 1 noname 0.0246 53 H18 -3.7564 2.8621 11.6516 H 1 noname 0.0634 54 H19 -4.7897 2.6160 7.4210 H 1 noname 0.0629 55 H20 -4.3121 5.1861 6.3207 H 1 noname 0.0330 56 H21 -6.0706 5.3942 6.9754 H 1 noname 0.0330 57 H22 -3.1656 7.4056 12.4441 H 1 noname 0.1274 58 H23 -4.8649 6.9901 12.4441 H 1 noname 0.1274 59 H24 -3.5348 6.9678 7.6218 H 1 noname 0.0438 60 H25 -5.3070 7.5715 7.3779 H 1 noname 0.0438 61 H26 -5.0197 8.3692 10.0207 H 1 noname 0.0435 62 H27 -6.4960 7.7307 9.0322 H 1 noname 0.0435 63 H28 -7.1480 6.4359 10.8423 H 1 noname 0.0303 64 H29 -5.6717 7.0744 11.8308 H 1 noname 0.0303 65 H30 -6.5719 9.2451 11.7731 H 1 noname 0.0563 66 H31 -8.0482 8.6065 10.7846 H 1 noname 0.0563 67 H32 -7.9945 7.1769 12.8317 H 1 noname 0.2100 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 2 12 10 13 1 13 11 14 2 14 12 14 1 15 13 15 1 16 15 16 1 17 17 16 1 18 17 18 1 19 17 19 1 20 18 20 1 21 20 21 2 22 20 22 1 23 21 23 1 24 22 24 2 25 23 25 2 26 23 26 1 27 24 27 1 28 24 25 1 29 25 28 1 30 26 29 2 31 26 30 1 32 27 31 1 33 28 32 1 34 28 31 1 35 32 33 1 36 33 34 1 37 34 35 1 38 5 36 1 39 5 37 1 40 9 38 1 41 11 39 1 42 12 40 1 43 13 41 1 44 13 42 1 45 14 43 1 46 15 44 1 47 15 45 1 48 16 46 1 49 17 47 1 50 18 48 1 51 18 49 1 52 19 50 1 53 19 51 1 54 19 52 1 55 21 53 1 56 22 54 1 57 27 55 1 58 27 56 1 59 30 57 1 60 30 58 1 61 31 59 1 62 31 60 1 63 32 61 1 64 32 62 1 65 33 63 1 66 33 64 1 67 34 65 1 68 34 66 1 69 35 67 1 @SUBSTRUCTURE 1 noname 1