@MOLECULE DB03273 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 5.8334 -0.9341 0.0868 O.2 1 noname -0.2758 2 C1 4.6372 -1.1817 -0.1786 C.2 1 noname 0.1788 3 C2 3.3932 -0.6052 0.4498 C.3 1 noname 0.1582 4 C3 4.0670 -2.1482 -1.2255 C.3 1 noname 0.1441 5 O2 3.5886 0.7781 0.7038 O.3 1 noname -0.3806 6 C4 2.4116 -0.7763 -0.7033 C.3 1 noname 0.1640 7 O3 2.6480 -2.1169 -1.1223 O.3 1 noname -0.3429 8 C5 4.5682 -3.5650 -0.9380 C.3 1 noname 0.0768 9 N1 1.0838 -0.4647 -0.3062 N.3 1 noname 0.0258 10 O4 4.0406 -4.4593 -1.9066 O.3 1 noname -0.3931 11 C6 0.1851 -1.2697 0.2866 C.2 1 noname 0.1238 12 C7 0.5542 0.7754 -0.3912 C.2 1 noname -0.0361 13 N2 0.2420 -2.6045 0.5860 N.2 1 noname -0.2440 14 C8 -0.9049 -0.4537 0.5996 C.2 1 noname 0.0255 15 N3 -0.6750 0.7913 0.1728 N.2 1 noname -0.2172 16 C9 -0.8133 -3.1754 1.2371 C.2 1 noname 0.0503 17 C10 -1.9888 -1.0506 1.2773 C.2 1 noname 0.0729 18 N4 -1.8880 -2.3918 1.5690 N.2 1 noname -0.2574 19 N5 -3.0717 -0.3409 1.6227 N.3 1 noname -0.1031 20 H1 3.1025 -1.0090 1.4196 H 1 noname 0.0730 21 H2 4.3136 -1.8512 -2.2448 H 1 noname 0.0712 22 H3 3.6100 0.9296 1.6515 H 1 noname 0.2112 23 H4 2.4956 -0.1195 -1.5692 H 1 noname 0.0857 24 H5 5.6478 -3.5781 -1.0876 H 1 noname 0.0595 25 H6 4.1460 -3.8857 0.0144 H 1 noname 0.0595 26 H7 3.6080 -5.1926 -1.4631 H 1 noname 0.2101 27 H8 1.0454 1.6351 -0.8468 H 1 noname 0.1016 28 H9 -0.7980 -4.2362 1.4871 H 1 noname 0.1062 29 H10 -3.0003 0.6581 1.7529 H 1 noname 0.1258 30 H11 -3.9592 -0.8051 1.7529 H 1 noname 0.1258 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 6 9 1 9 6 7 1 10 8 10 1 11 9 11 1 12 9 12 1 13 11 13 2 14 11 14 1 15 12 15 2 16 13 16 1 17 14 17 2 18 14 15 1 19 16 18 2 20 17 19 1 21 17 18 1 22 3 20 1 23 4 21 1 24 5 22 1 25 6 23 1 26 8 24 1 27 8 25 1 28 10 26 1 29 12 27 1 30 16 28 1 31 19 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1