@MOLECULE 25045 42 46 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3017 -4.7734 -1.2097 O.3 1 noname -0.3786 2 C1 -0.4546 -4.2246 -2.2614 C.3 1 noname 0.0599 3 C2 -1.1408 -4.3998 0.2093 C.3 1 noname 0.0599 4 C3 0.1781 -2.8239 -1.9742 C.3 1 noname 0.0282 5 C4 -0.1393 -3.2345 0.4801 C.3 1 noname 0.0282 6 N1 -0.1458 -2.3377 -0.6482 N.3 1 noname -0.0760 7 C5 -0.5858 -1.0674 -0.3968 C.2 1 noname 0.0951 8 N2 -1.9325 -0.8767 -0.2114 N.2 1 noname -0.2144 9 C6 0.2877 0.0325 -0.2149 C.2 1 noname 0.0312 10 C7 -2.4999 0.3173 0.1575 C.2 1 noname 0.0835 11 O2 1.6430 0.1785 -0.2836 O.3 1 noname -0.3453 12 C8 -0.3241 1.2484 0.1467 C.2 1 noname 0.0991 13 N3 -1.6735 1.3806 0.3374 N.2 1 noname -0.2243 14 C9 -3.8727 0.4346 0.3408 C.2 1 noname -0.0098 15 C10 1.9022 1.4972 -0.0134 C.2 1 noname 0.1153 16 C11 0.6965 2.1680 0.2476 C.2 1 noname 0.0961 17 C12 -4.4221 1.6555 0.7146 C.2 1 noname 0.0069 18 C13 -4.6962 -0.6689 0.1504 C.2 1 noname -0.0325 19 N4 3.0858 2.1910 0.0160 N.2 1 noname -0.1953 20 C14 0.6810 3.5537 0.5368 C.2 1 noname 0.0040 21 C15 -5.7950 1.7729 0.8979 C.2 1 noname 0.0107 22 C16 -6.0690 -0.5515 0.3337 C.2 1 noname -0.0397 23 C17 3.1210 3.5454 0.2882 C.2 1 noname 0.0141 24 C18 1.9162 4.2531 0.5543 C.2 1 noname -0.0165 25 O3 -6.3285 2.9586 1.2609 O.3 1 noname -0.2851 26 C19 -6.6184 0.6694 0.7075 C.2 1 noname -0.0149 27 H1 0.3705 -4.9336 -2.3301 H 1 noname 0.0580 28 H2 -1.1337 -4.0954 -3.1042 H 1 noname 0.0580 29 H3 -2.1253 -4.0408 0.5091 H 1 noname 0.0580 30 H4 -0.7188 -5.2888 0.6782 H 1 noname 0.0580 31 H5 1.2611 -2.9471 -1.9680 H 1 noname 0.0459 32 H6 -0.2851 -2.1082 -2.6533 H 1 noname 0.0459 33 H7 -0.5162 -2.6496 1.3192 H 1 noname 0.0459 34 H8 0.8672 -3.6516 0.5149 H 1 noname 0.0459 35 H9 -3.7764 2.5209 0.8640 H 1 noname 0.0657 36 H10 -4.2653 -1.6263 -0.1428 H 1 noname 0.0630 37 H11 -0.2577 4.0689 0.7408 H 1 noname 0.0631 38 H12 -6.7147 -1.4169 0.1843 H 1 noname 0.0623 39 H13 4.0874 4.0495 0.2930 H 1 noname 0.0840 40 H14 1.9392 5.3213 0.7696 H 1 noname 0.0639 41 H15 -6.3551 3.0178 2.2188 H 1 noname 0.2181 42 H16 -7.6950 0.7614 0.8512 H 1 noname 0.0650 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 8 10 1 11 9 11 1 12 9 12 2 13 10 13 2 14 10 14 1 15 11 15 1 16 12 16 1 17 12 13 1 18 14 17 2 19 14 18 1 20 15 19 1 21 15 16 2 22 16 20 1 23 17 21 1 24 18 22 2 25 19 23 2 26 20 24 2 27 21 25 1 28 21 26 2 29 22 26 1 30 23 24 1 31 2 27 1 32 2 28 1 33 3 29 1 34 3 30 1 35 4 31 1 36 4 32 1 37 5 33 1 38 5 34 1 39 17 35 1 40 18 36 1 41 20 37 1 42 22 38 1 43 23 39 1 44 24 40 1 45 25 41 1 46 26 42 1 @SUBSTRUCTURE 1 noname 1