@MOLECULE DB04632 59 62 1 SMALL USER_CHARGES @ATOM 1 S1 -1.1835 -0.0294 1.3333 S 1 noname -0.1245 2 O1 -2.1287 1.2555 1.1462 O.2 1 noname -0.1906 3 O2 -1.7501 -1.2434 0.4630 O.2 1 noname -0.1906 4 N1 -1.1657 -0.4297 3.0419 N.3 1 noname 0.0158 5 N2 0.3972 0.3554 0.8237 N.3 1 noname 0.0824 6 C1 -0.0976 -1.4293 3.3415 C.3 1 noname 0.0189 7 C2 -2.5816 -0.7847 3.3218 C.3 1 noname 0.0189 8 C3 0.5236 0.6174 -0.4733 C.2 1 noname -0.0123 9 C4 -0.4642 -2.5628 4.3623 C.3 1 noname -0.0234 10 C5 -2.9451 -2.3008 3.3108 C.3 1 noname -0.0234 11 C6 0.4212 1.9787 -0.8732 C.2 1 noname -0.0083 12 C7 0.6302 -0.4338 -1.4356 C.2 1 noname -0.0513 13 C8 -1.8935 -3.1469 4.0982 C.3 1 noname 0.0096 14 C9 0.3287 2.2484 -2.2683 C.2 1 noname 0.0058 15 C10 0.6372 -0.1497 -2.8288 C.2 1 noname -0.0481 16 N3 -1.7741 -4.4689 3.4854 N.3 1 noname -0.3097 17 O3 -0.1277 3.4871 -2.6556 O.3 1 noname -0.2049 18 C11 0.4812 1.2046 -3.2327 C.2 1 noname -0.0361 19 C12 -1.0426 -5.3590 4.3854 C.3 1 noname 0.0234 20 C13 -1.5101 3.6633 -2.7936 C.2 1 noname 0.0012 21 C14 -0.9234 -6.6792 3.7734 C.2 1 noname -0.0208 22 C15 -1.9045 4.9752 -3.2221 C.2 1 noname -0.0066 23 C16 -2.5197 2.6491 -2.5510 C.2 1 noname -0.0066 24 C17 0.3331 -7.2164 3.5190 C.2 1 noname 0.0061 25 C18 -2.0664 -7.3989 3.4452 C.2 1 noname -0.0441 26 C19 -3.2898 5.2787 -3.4154 C.2 1 noname 0.0031 27 C20 -3.9020 2.9410 -2.7427 C.2 1 noname 0.0031 28 O4 1.4432 -6.5174 3.8377 O.3 1 noname -0.2840 29 C21 0.4466 -8.4733 2.9363 C.2 1 noname -0.0305 30 C22 -1.9529 -8.6558 2.8626 C.2 1 noname -0.0714 31 C23 -4.2601 4.2558 -3.1736 C.2 1 noname 0.0155 32 C24 -0.6964 -9.1930 2.6081 C.2 1 noname -0.0521 33 F1 -5.5184 4.5334 -3.3531 F 1 noname -0.1672 34 H1 1.2830 0.4302 1.3033 H 1 noname 0.1516 35 H2 0.0808 -1.9247 2.3870 H 1 noname 0.0446 36 H3 0.6944 -0.8434 3.8079 H 1 noname 0.0446 37 H4 -2.7459 -0.4413 4.3432 H 1 noname 0.0446 38 H5 -3.1372 -0.3341 2.4994 H 1 noname 0.0446 39 H6 0.2365 -3.3775 4.1791 H 1 noname 0.0296 40 H7 -0.5050 -2.0893 5.3432 H 1 noname 0.0296 41 H8 -3.8849 -2.3942 3.8551 H 1 noname 0.0296 42 H9 -2.8830 -2.6229 2.2713 H 1 noname 0.0296 43 H10 0.4140 2.7841 -0.1388 H 1 noname 0.0667 44 H11 0.7075 -1.4684 -1.1015 H 1 noname 0.0639 45 H12 -2.3287 -3.2417 5.0930 H 1 noname 0.0465 46 H13 0.7583 -0.9451 -3.5642 H 1 noname 0.0624 47 H14 -2.1404 -4.7273 2.5803 H 1 noname 0.1228 48 H15 0.4785 1.4457 -4.2957 H 1 noname 0.0650 49 H16 -0.0319 -4.9598 4.4706 H 1 noname 0.0479 50 H17 -1.6576 -5.4804 5.2771 H 1 noname 0.0479 51 H18 -1.1510 5.7422 -3.4011 H 1 noname 0.0651 52 H19 -2.2348 1.6507 -2.2191 H 1 noname 0.0651 53 H20 -3.0517 -6.9776 3.6448 H 1 noname 0.0626 54 H21 -3.6004 6.2715 -3.7409 H 1 noname 0.0654 55 H22 -4.6629 2.1810 -2.5649 H 1 noname 0.0654 56 H23 1.5255 -6.4656 4.7928 H 1 noname 0.2182 57 H24 1.4319 -8.8946 2.7368 H 1 noname 0.0650 58 H25 -2.8492 -9.2201 2.6052 H 1 noname 0.0622 59 H26 -0.6074 -10.1786 2.1512 H 1 noname 0.0623 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 4 6 1 6 4 7 1 7 5 8 1 8 6 9 1 9 7 10 1 10 8 11 2 11 8 12 1 12 9 13 1 13 10 13 1 14 11 14 1 15 12 15 2 16 13 16 1 17 14 17 1 18 14 18 2 19 15 18 1 20 16 19 1 21 17 20 1 22 19 21 1 23 20 22 2 24 20 23 1 25 21 24 2 26 21 25 1 27 22 26 1 28 23 27 2 29 24 28 1 30 24 29 1 31 25 30 2 32 26 31 2 33 27 31 1 34 29 32 2 35 30 32 1 36 31 33 1 37 5 34 1 38 6 35 1 39 6 36 1 40 7 37 1 41 7 38 1 42 9 39 1 43 9 40 1 44 10 41 1 45 10 42 1 46 11 43 1 47 12 44 1 48 13 45 1 49 15 46 1 50 16 47 1 51 18 48 1 52 19 49 1 53 19 50 1 54 22 51 1 55 23 52 1 56 25 53 1 57 26 54 1 58 27 55 1 59 28 56 1 60 29 57 1 61 30 58 1 62 32 59 1 @SUBSTRUCTURE 1 noname 1